ethyl 2-[(3-cyanophenyl)carbonylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-cyanophenyl)carbonylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-cyanobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[(3-cyanophenyl)-oxomethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-cyanobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[(3-cyanobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H18N2O4S/c1-3-28-22(26)19-18(15-7-9-17(27-2)10-8-15)13-29-21(19)24-20(25)16-6-4-5-14(11-16)12-23/h4-11,13H,3H2,1-2H3,(H,24,25)