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

Systemtic Name: (2R,3R)-8-methoxy-2-(4-methylphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2R,3R)-3-hydroxy-8-methoxy-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2R,3R)-3-hydroxy-8-methoxy-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2R,3R)-3-hydroxy-8-methoxy-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2R,3R)-3-hydroxy-8-methoxy-2-(p-tolyl)-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=CC=C(C=C1)C2C(C(=O)NC3=C(S2)C=C(C=C3)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)NC3=C(S2)C=C(C=C3)OC)O

InChI

InChI=1S/C17H17NO3S/c1-10-3-5-11(6-4-10)16-15(19)17(20)18-13-8-7-12(21-2)9-14(13)22-16/h3-9,15-16,19H,1-2H3,(H,18,20)/t15-,16+/m0/s1