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

Systemtic Name: ethyl (2R,3S)-2-(5-methylthiophen-2-yl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate Openeye Name: ethyl (2R,3S)-2-(5-methyl-2-thienyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate CAS Name: (2R,3S)-2-(5-methyl-2-thiophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2-(5-methylthiophen-2-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate Traditional Name: (2R,3S)-4-keto-2-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylic acid ethyl ester Formula: C17H17NO3S2 MolecularWeight: 347.45178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(SC2=CC=CC=C2NC1=O)C3=CC=C(S3)C

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](SC2=CC=CC=C2NC1=O)C3=CC=C(S3)C

InChI

InChI=1S/C17H17NO3S2/c1-3-21-17(20)14-15(13-9-8-10(2)22-13)23-12-7-5-4-6-11(12)18-16(14)19/h4-9,14-15H,3H2,1-2H3,(H,18,19)/t14-,15-/m0/s1