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

Systemtic Name: ethyl 5-[(4-cyanophenyl)carbonylamino]-4-(methoxycarbonylcarbamoyl)-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(4-cyanobenzoyl)amino]-4-(methoxycarbonylcarbamoyl)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(4-cyanophenyl)-oxomethyl]amino]-4-[(methoxycarbonylamino)-oxomethyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-cyanobenzoyl)amino]-4-(methoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate Traditional Name: 4-(carbomethoxycarbamoyl)-5-[(4-cyanobenzoyl)amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H17N3O6S MolecularWeight: 415.41978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O6S/c1-4-28-18(25)14-10(2)13(16(24)22-19(26)27-3)17(29-14)21-15(23)12-7-5-11(9-20)6-8-12/h5-8H,4H2,1-3H3,(H,21,23)(H,22,24,26)