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

Systemtic Name: ethyl (2R,3S)-2-phenyl-4-sulfanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate Openeye Name: ethyl (2R,3S)-2-phenyl-4-thioxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate CAS Name: (2R,3S)-2-phenyl-4-sulfanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2-phenyl-4-sulfanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate Traditional Name: (2R,3S)-2-phenyl-4-thioxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylic acid ethyl ester Formula: C18H17NO2S2 MolecularWeight: 343.46308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO2S2/c1-2-21-18(20)15-16(12-8-4-3-5-9-12)23-14-11-7-6-10-13(14)19-17(15)22/h3-11,15-16H,2H2,1H3,(H,19,22)/t15-,16-/m0/s1