ethyl 6-cyano-6-phenyl-2-(2-phenylethanoylamino)-5,7-dihydro-4H-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-cyano-6-phenyl-2-(2-phenylethanoylamino)-5,7-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-cyano-6-phenyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 6-cyano-2-[(1-oxo-2-phenylethyl)amino]-6-phenyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-cyano-6-phenyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 6-cyano-6-phenyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)(C#N)C3=CC=CC=C3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)(C#N)C3=CC=CC=C3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3S/c1-2-31-25(30)23-20-13-14-26(17-27,19-11-7-4-8-12-19)16-21(20)32-24(23)28-22(29)15-18-9-5-3-6-10-18/h3-12H,2,13-16H2,1H3,(H,28,29)