ethyl 3-[(3-cyanophenyl)carbonylamino]-5-(4-methoxyphenyl)thiophene-2-carboxylate

Systemtic Name: ethyl 3-[(3-cyanophenyl)carbonylamino]-5-(4-methoxyphenyl)thiophene-2-carboxylate Openeye Name: ethyl 3-[(3-cyanobenzoyl)amino]-5-(4-methoxyphenyl)thiophene-2-carboxylate CAS Name: 3-[[(3-cyanophenyl)-oxomethyl]amino]-5-(4-methoxyphenyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-cyanobenzoyl)amino]-5-(4-methoxyphenyl)thiophene-2-carboxylate Traditional Name: 3-[(3-cyanobenzoyl)amino]-5-(4-methoxyphenyl)thiophene-2-carboxylic acid ethyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=O)C3=CC=CC(=C3)C#N

InChI

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