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

Systemtic Name: ethyl (2R,3S)-5-(2-dimethylaminoethyl)-4-oxidanylidene-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepine-3-carboxylate Openeye Name: ethyl (2R,3S)-5-(2-dimethylaminoethyl)-4-oxo-2-(3-thienyl)-2,3-dihydro-1,5-benzothiazepine-3-carboxylate CAS Name: (2R,3S)-5-(2-dimethylaminoethyl)-4-oxo-2-(3-thiophenyl)-2,3-dihydro-1,5-benzothiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-5-(2-dimethylaminoethyl)-4-oxo-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepine-3-carboxylate Traditional Name: (2R,3S)-5-(2-dimethylaminoethyl)-4-keto-2-(3-thienyl)-2,3-dihydro-1,5-benzothiazepine-3-carboxylic acid ethyl ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S2/c1-4-25-20(24)17-18(14-9-12-26-13-14)27-16-8-6-5-7-15(16)22(19(17)23)11-10-21(2)3/h5-9,12-13,17-18H,4,10-11H2,1-3H3/t17-,18-/m0/s1