(2R,3R)-6-methoxy-2-(4-methoxyphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: (2R,3R)-6-methoxy-2-(4-methoxyphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2R,3R)-3-hydroxy-6-methoxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2R,3R)-3-hydroxy-6-methoxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2R,3R)-3-hydroxy-6-methoxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2R,3R)-3-hydroxy-6-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(C=CC=C3S2)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)NC3=C(C=CC=C3S2)OC)O

InChI

InChI=1S/C17H17NO4S/c1-21-11-8-6-10(7-9-11)16-15(19)17(20)18-14-12(22-2)4-3-5-13(14)23-16/h3-9,15-16,19H,1-2H3,(H,18,20)/t15-,16+/m0/s1