(2S,3S)-8-ethyl-2-(4-methoxyphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: (2S,3S)-8-ethyl-2-(4-methoxyphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-8-ethyl-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-8-ethyl-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-8-ethyl-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-8-ethyl-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(C(S2)C3=CC=C(C=C3)OC)O

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)[C@@H]([C@@H](S2)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C18H19NO3S/c1-3-11-4-9-14-15(10-11)23-17(16(20)18(21)19-14)12-5-7-13(22-2)8-6-12/h4-10,16-17,20H,3H2,1-2H3,(H,19,21)/t16-,17+/m1/s1