(2S,3S)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

CAS Registry Number®

42399-49-5

CAS Name

(2S,3S)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

Molecular Formula

C16H15NO3S

Molecular Mass

301.36

Cite this Page

(2S,3S)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=42399-49-5 (retrieved 2024-11-22) (CAS RN: 42399-49-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    208-210 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H15NO3S/c1-20-11-8-6-10(7-9-11)15-14(18)16(19)17-12-4-2-3-5-13(12)21-15/h2-9,14-15,18H,1H3,(H,17,19)/t14-,15+/m1/s1

InChIKey

InChIKey=LHBHZALHFIQJGJ-CABCVRRESA-N

SMILES

O[C@@H]1[C@@H](SC=2C(NC1=O)=CC=CC2)C3=CC=C(OC)C=C3

Canonical SMILES

O=C1NC=2C=CC=CC2SC(C3=CC=C(OC)C=C3)C1O

Other Names for this Substance

  • 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, (2S,3S)-
  • 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, (2S-cis)-
  • (2S,3S)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
  • (2S,3S)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

Deleted or Replaced CAS Registry Numbers

110073-02-4

CAS INSIGHTSTM
Targeted protein degrader structure, illustration