[(2R,3R)-6-methoxy-2-(4-methoxyphenyl)-5-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [(2R,3R)-6-methoxy-2-(4-methoxyphenyl)-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]-6-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [(2R,3R)-6-methoxy-2-(4-methoxyphenyl)-5-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [(2R,3R)-6-methoxy-2-(4-methoxyphenyl)-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-6-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C30H32N2O7S MolecularWeight: 564.64928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=CC=CC(=C2N(C1=O)CCN(C)C(=O)OCC3=CC=CC=C3)OC)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)O[C@H]1[C@H](SC2=CC=CC(=C2N(C1=O)CCN(C)C(=O)OCC3=CC=CC=C3)OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C30H32N2O7S/c1-20(33)39-27-28(22-13-15-23(36-3)16-14-22)40-25-12-8-11-24(37-4)26(25)32(29(27)34)18-17-31(2)30(35)38-19-21-9-6-5-7-10-21/h5-16,27-28H,17-19H2,1-4H3/t27-,28+/m0/s1