(2R,3R)-7,8-dimethyl-2-(4-methylphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: (2R,3R)-7,8-dimethyl-2-(4-methylphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2R,3R)-3-hydroxy-7,8-dimethyl-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2R,3R)-3-hydroxy-7,8-dimethyl-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2R,3R)-3-hydroxy-7,8-dimethyl-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2R,3R)-3-hydroxy-7,8-dimethyl-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C18H19NO2S MolecularWeight: 313.41396

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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)C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO2S/c1-10-4-6-13(7-5-10)17-16(20)18(21)19-14-8-11(2)12(3)9-15(14)22-17/h4-9,16-17,20H,1-3H3,(H,19,21)/t16-,17+/m0/s1