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

Systemtic Name: [(2R,3R)-8-methoxy-2-(4-methylphenyl)-5-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [(2R,3R)-5-[2-[benzyloxycarbonyl(methyl)amino]ethyl]-8-methoxy-4-oxo-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [(2R,3R)-8-methoxy-2-(4-methylphenyl)-5-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [(2R,3R)-8-methoxy-2-(4-methylphenyl)-5-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [(2R,3R)-5-[2-[carbobenzoxy(methyl)amino]ethyl]-4-keto-8-methoxy-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C30H32N2O6S MolecularWeight: 548.64988

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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)OC)CCN(C)C(=O)OCC4=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)OC)CCN(C)C(=O)OCC4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C30H32N2O6S/c1-20-10-12-23(13-11-20)28-27(38-21(2)33)29(34)32(25-15-14-24(36-4)18-26(25)39-28)17-16-31(3)30(35)37-19-22-8-6-5-7-9-22/h5-15,18,27-28H,16-17,19H2,1-4H3/t27-,28+/m0/s1