ethyl 4-oxidanylidene-3-phenyl-8-(phenylcarbonyl)-6,7-dihydro-5H-thieno[2,3-b]azepine-5-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-3-phenyl-8-(phenylcarbonyl)-6,7-dihydro-5H-thieno[2,3-b]azepine-5-carboxylate Openeye Name: ethyl 8-benzoyl-4-oxo-3-phenyl-6,7-dihydro-5H-thieno[2,3-b]azepine-5-carboxylate CAS Name: 8-benzoyl-4-oxo-3-phenyl-6,7-dihydro-5H-thieno[2,3-b]azepine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 8-benzoyl-4-oxo-3-phenyl-6,7-dihydro-5H-thieno[2,3-b]azepine-5-carboxylate Traditional Name: 8-benzoyl-4-keto-3-phenyl-6,7-dihydro-5H-thien[2,3-b]azepine-5-carboxylic acid ethyl ester Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(C2=C(C1=O)C(=CS2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(C2=C(C1=O)C(=CS2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H21NO4S/c1-2-29-24(28)18-13-14-25(22(27)17-11-7-4-8-12-17)23-20(21(18)26)19(15-30-23)16-9-5-3-6-10-16/h3-12,15,18H,2,13-14H2,1H3