[(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-8-propan-2-yl-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-8-propan-2-yl-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [(2S,3S)-5-(2-dimethylaminoethyl)-8-isopropyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-8-propan-2-yl-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-8-propan-2-yl-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [(2S,3S)-5-(2-dimethylaminoethyl)-8-isopropyl-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=O)C(C(S2)C3=CC=C(C=C3)OC)OC(=O)C)CCN(C)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=O)[C@@H]([C@@H](S2)C3=CC=C(C=C3)OC)OC(=O)C)CCN(C)C

InChI

InChI=1S/C25H32N2O4S/c1-16(2)19-9-12-21-22(15-19)32-24(18-7-10-20(30-6)11-8-18)23(31-17(3)28)25(29)27(21)14-13-26(4)5/h7-12,15-16,23-24H,13-14H2,1-6H3/t23-,24+/m1/s1