ethyl (2S,3S)-2-methyl-4-sulfanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate

Systemtic Name: ethyl (2S,3S)-2-methyl-4-sulfanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate Openeye Name: ethyl (2S,3S)-2-methyl-4-thioxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate CAS Name: (2S,3S)-2-methyl-4-sulfanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S)-2-methyl-4-sulfanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate Traditional Name: (2S,3S)-2-methyl-4-thioxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylic acid ethyl ester Formula: C13H15NO2S2 MolecularWeight: 281.3937

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(SC2=CC=CC=C2NC1=S)C

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO2S2/c1-3-16-13(15)11-8(2)18-10-7-5-4-6-9(10)14-12(11)17/h4-8,11H,3H2,1-2H3,(H,14,17)/t8-,11-/m0/s1