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

Systemtic Name: (2R,3S)-8-methoxy-2-(4-methoxyphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2R,3S)-3-hydroxy-8-methoxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2R,3S)-3-hydroxy-8-methoxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2R,3S)-3-hydroxy-8-methoxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2R,3S)-3-hydroxy-8-methoxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)NC3=C(S2)C=C(C=C3)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)NC3=C(S2)C=C(C=C3)OC)O

InChI

InChI=1S/C17H17NO4S/c1-21-11-5-3-10(4-6-11)16-15(19)17(20)18-13-8-7-12(22-2)9-14(13)23-16/h3-9,15-16,19H,1-2H3,(H,18,20)/t15-,16-/m1/s1