(2R,3S)-2-(4-methoxyphenyl)-7-methyl-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: (2R,3S)-2-(4-methoxyphenyl)-7-methyl-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2R,3S)-3-hydroxy-2-(4-methoxyphenyl)-7-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2R,3S)-3-hydroxy-2-(4-methoxyphenyl)-7-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2R,3S)-3-hydroxy-2-(4-methoxyphenyl)-7-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2R,3S)-3-hydroxy-2-(4-methoxyphenyl)-7-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(C(C(=O)N2)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC2=C(C=C1)S[C@@H]([C@H](C(=O)N2)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H17NO3S/c1-10-3-8-14-13(9-10)18-17(20)15(19)16(22-14)11-4-6-12(21-2)7-5-11/h3-9,15-16,19H,1-2H3,(H,18,20)/t15-,16-/m1/s1