1-Piperidineacetic acid, 3-(carboxymethylene)-α-(2-chlorophenyl)-4-mercapto-, 1-methyl ester, hydrochloride (1:1), (3E)-

CAS Registry Number®

204204-76-2
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CAS Name

1-Piperidineacetic acid, 3-(carboxymethylene)-α-(2-chlorophenyl)-4-mercapto-, 1-methyl ester, hydrochloride (1:1), (3E)-

Molecular Formula

C16H18ClNO4S.ClH

Cite this Page

1-Piperidineacetic acid, 3-(carboxymethylene)-α-(2-chlorophenyl)-4-mercapto-, 1-methyl ester, hydrochloride (1:1), (3E)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=204204-76-2 (retrieved 2024-07-08) (CAS RN: 204204-76-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C16H18ClNO4S.ClH/c1-22-16(21)15(11-4-2-3-5-12(11)17)18-7-6-13(23)10(9-18)8-14(19)20;/h2-5,8,13,15,23H,6-7,9H2,1H3,(H,19,20);1H/b10-8+;

InChIKey

InChIKey=GSLBFGQBRVODQX-VRTOBVRTNA-N

SMILES

C(C(OC)=O)(N1C/C(=C\C(O)=O)/C(S)CC1)C2=C(Cl)C=CC=C2.Cl

Canonical SMILES

Cl.O=C(O)C=C1CN(CCC1S)C(C(=O)OC)C=2C=CC=CC2Cl

Other Names for this Substance

  • 1-Piperidineacetic acid, 3-(carboxymethylene)-α-(2-chlorophenyl)-4-mercapto-, 1-methyl ester, hydrochloride (1:1), (3E)-
  • 1-Piperidineacetic acid, 3-(carboxymethylene)-α-(2-chlorophenyl)-4-mercapto-, α-methyl ester, hydrochloride, (E)-
  • 1-Piperidineacetic acid, 3-(carboxymethylene)-α-(2-chlorophenyl)-4-mercapto-, α-methyl ester, hydrochloride, (3E)-