ethyl (2R,3S)-5-(2-dimethylaminoethyl)-2-(5-methylthiophen-2-yl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-3-carboxylate

Systemtic Name: ethyl (2R,3S)-5-(2-dimethylaminoethyl)-2-(5-methylthiophen-2-yl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-3-carboxylate Openeye Name: ethyl (2R,3S)-5-(2-dimethylaminoethyl)-2-(5-methyl-2-thienyl)-4-oxo-2,3-dihydro-1,5-benzothiazepine-3-carboxylate CAS Name: (2R,3S)-5-(2-dimethylaminoethyl)-2-(5-methyl-2-thiophenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-5-(2-dimethylaminoethyl)-2-(5-methylthiophen-2-yl)-4-oxo-2,3-dihydro-1,5-benzothiazepine-3-carboxylate Traditional Name: (2R,3S)-5-(2-dimethylaminoethyl)-4-keto-2-(5-methyl-2-thienyl)-2,3-dihydro-1,5-benzothiazepine-3-carboxylic acid ethyl ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(S3)C

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(S3)C

InChI

InChI=1S/C21H26N2O3S2/c1-5-26-21(25)18-19(17-11-10-14(2)27-17)28-16-9-7-6-8-15(16)23(20(18)24)13-12-22(3)4/h6-11,18-19H,5,12-13H2,1-4H3/t18-,19-/m0/s1