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

Systemtic Name: (2R,3R)-5-(2-dimethylaminoethyl)-3-methoxy-8-methyl-2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2R,3R)-5-(2-dimethylaminoethyl)-3-methoxy-8-methyl-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2R,3R)-5-(2-dimethylaminoethyl)-3-methoxy-8-methyl-2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2R,3R)-5-(2-dimethylaminoethyl)-3-methoxy-8-methyl-2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2R,3R)-5-(2-dimethylaminoethyl)-3-methoxy-8-methyl-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)C)CCN(C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-15-6-9-17(10-7-15)21-20(26-5)22(25)24(13-12-23(3)4)18-11-8-16(2)14-19(18)27-21/h6-11,14,20-21H,12-13H2,1-5H3/t20-,21+/m0/s1