[(2R,3R)-8-methyl-2-(4-methylphenyl)-5-[2-[methyl-(phenylmethyl)amino]ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [(2R,3R)-8-methyl-2-(4-methylphenyl)-5-[2-[methyl-(phenylmethyl)amino]ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [(2R,3R)-5-[2-[benzyl(methyl)amino]ethyl]-8-methyl-4-oxo-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [(2R,3R)-8-methyl-2-(4-methylphenyl)-5-[2-[methyl-(phenylmethyl)amino]ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [(2R,3R)-5-[2-[benzyl(methyl)amino]ethyl]-8-methyl-2-(4-methylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [(2R,3R)-5-[2-[benzyl(methyl)amino]ethyl]-4-keto-8-methyl-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C29H32N2O3S MolecularWeight: 488.64098

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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)CC4=CC=CC=C4)OC(=O)C

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)CC4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C29H32N2O3S/c1-20-10-13-24(14-11-20)28-27(34-22(3)32)29(33)31(25-15-12-21(2)18-26(25)35-28)17-16-30(4)19-23-8-6-5-7-9-23/h5-15,18,27-28H,16-17,19H2,1-4H3/t27-,28+/m0/s1