[(2R,3R)-5-(2-dimethylaminoethyl)-8-ethyl-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [(2R,3R)-5-(2-dimethylaminoethyl)-8-ethyl-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [(2R,3R)-5-(2-dimethylaminoethyl)-8-ethyl-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [(2R,3R)-5-(2-dimethylaminoethyl)-8-ethyl-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [(2R,3R)-5-(2-dimethylaminoethyl)-8-ethyl-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [(2R,3R)-5-(2-dimethylaminoethyl)-8-ethyl-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C23H28N2O3S MolecularWeight: 412.54502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=O)C(C(S2)C3=CC=CC=C3)OC(=O)C)CCN(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=O)[C@H]([C@H](S2)C3=CC=CC=C3)OC(=O)C)CCN(C)C

InChI

InChI=1S/C23H28N2O3S/c1-5-17-11-12-19-20(15-17)29-22(18-9-7-6-8-10-18)21(28-16(2)26)23(27)25(19)14-13-24(3)4/h6-12,15,21-22H,5,13-14H2,1-4H3/t21-,22+/m0/s1