ethyl 6-cyano-2-[(3,4-dimethoxyphenyl)carbonylamino]-6-phenyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-cyano-2-[(3,4-dimethoxyphenyl)carbonylamino]-6-phenyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-cyano-2-[(3,4-dimethoxybenzoyl)amino]-6-phenyl-5,7-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 6-cyano-2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-6-phenyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-cyano-2-[(3,4-dimethoxybenzoyl)amino]-6-phenyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 6-cyano-6-phenyl-2-(veratroylamino)-5,7-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C27H26N2O5S MolecularWeight: 490.57074

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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)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O5S/c1-4-34-26(31)23-19-12-13-27(16-28,18-8-6-5-7-9-18)15-22(19)35-25(23)29-24(30)17-10-11-20(32-2)21(14-17)33-3/h5-11,14H,4,12-13,15H2,1-3H3,(H,29,30)