[(2R,3R)-5-(2-dimethylaminoethyl)-2-(4-ethylphenyl)-7,8-dimethyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [(2R,3R)-5-(2-dimethylaminoethyl)-2-(4-ethylphenyl)-7,8-dimethyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [(2R,3R)-5-(2-dimethylaminoethyl)-2-(4-ethylphenyl)-7,8-dimethyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [(2R,3R)-5-(2-dimethylaminoethyl)-2-(4-ethylphenyl)-7,8-dimethyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [(2R,3R)-5-(2-dimethylaminoethyl)-2-(4-ethylphenyl)-7,8-dimethyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [(2R,3R)-5-(2-dimethylaminoethyl)-2-(4-ethylphenyl)-4-keto-7,8-dimethyl-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C(=C3)C)C)CCN(C)C)OC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)N(C3=C(S2)C=C(C(=C3)C)C)CCN(C)C)OC(=O)C

InChI

InChI=1S/C25H32N2O3S/c1-7-19-8-10-20(11-9-19)24-23(30-18(4)28)25(29)27(13-12-26(5)6)21-14-16(2)17(3)15-22(21)31-24/h8-11,14-15,23-24H,7,12-13H2,1-6H3/t23-,24+/m0/s1