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

Systemtic Name: ethyl (2R,3S)-4-oxidanylidene-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate Openeye Name: ethyl (2R,3S)-4-oxo-2-(2-thienyl)-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate CAS Name: (2R,3S)-4-oxo-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-4-oxo-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate Traditional Name: (2R,3S)-4-keto-2-(2-thienyl)-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylic acid ethyl ester Formula: C16H15NO3S2 MolecularWeight: 333.4252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(SC2=CC=CC=C2NC1=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](SC2=CC=CC=C2NC1=O)C3=CC=CS3

InChI

InChI=1S/C16H15NO3S2/c1-2-20-16(19)13-14(12-8-5-9-21-12)22-11-7-4-3-6-10(11)17-15(13)18/h3-9,13-14H,2H2,1H3,(H,17,18)/t13-,14-/m0/s1