ethyl (2R,3S)-5-[3-(dimethylamino)propyl]-4-oxidanylidene-2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepine-3-carboxylate

Systemtic Name: ethyl (2R,3S)-5-[3-(dimethylamino)propyl]-4-oxidanylidene-2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepine-3-carboxylate Openeye Name: ethyl (2R,3S)-5-[3-(dimethylamino)propyl]-4-oxo-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine-3-carboxylate CAS Name: (2R,3S)-5-[3-(dimethylamino)propyl]-4-oxo-2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-5-[3-(dimethylamino)propyl]-4-oxo-2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepine-3-carboxylate Traditional Name: (2R,3S)-5-[3-(dimethylamino)propyl]-4-keto-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine-3-carboxylic acid ethyl ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(SC2=CC=CC=C2N(C1=O)CCCN(C)C)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCCN(C)C)C3=CC=CS3

InChI

InChI=1S/C21H26N2O3S2/c1-4-26-21(25)18-19(17-11-7-14-27-17)28-16-10-6-5-9-15(16)23(20(18)24)13-8-12-22(2)3/h5-7,9-11,14,18-19H,4,8,12-13H2,1-3H3/t18-,19-/m0/s1