[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 3-(dimethylamino)benzoate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 3-(dimethylamino)benzoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 3-(dimethylamino)benzoate CAS Name: 3-(dimethylamino)benzoic acid [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] 3-(dimethylamino)benzoate Traditional Name: 3-(dimethylamino)benzoic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=CC(=CC=C3)N(C)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=CC(=CC=C3)N(C)C

InChI

InChI=1S/C21H24N2O3S/c1-15-11-12-23(18-9-4-5-10-19(18)27-15)20(24)14-26-21(25)16-7-6-8-17(13-16)22(2)3/h4-10,13,15H,11-12,14H2,1-3H3