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

Systemtic Name: (2S,3S)-8-ethoxy-2-(4-methoxyphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-8-ethoxy-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-8-ethoxy-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-8-ethoxy-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-8-ethoxy-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(C(S2)C3=CC=C(C=C3)OC)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)[C@@H]([C@@H](S2)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C18H19NO4S/c1-3-23-13-8-9-14-15(10-13)24-17(16(20)18(21)19-14)11-4-6-12(22-2)7-5-11/h4-10,16-17,20H,3H2,1-2H3,(H,19,21)/t16-,17+/m1/s1