ethyl 2-[2-[(3-cyanophenyl)amino]ethanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(3-cyanophenyl)amino]ethanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-cyanoanilino)acetyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3-cyanoanilino)-1-oxoethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-cyanoanilino)acetyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-cyanoanilino)acetyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CNC2=CC=CC(=C2)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CNC2=CC=CC(=C2)C#N

InChI

InChI=1S/C20H22N4O4S/c1-5-28-20(27)16-12(2)17(19(26)24(3)4)29-18(16)23-15(25)11-22-14-8-6-7-13(9-14)10-21/h6-9,22H,5,11H2,1-4H3,(H,23,25)