diethyl 5-[2-[(3-cyanophenyl)amino]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-[(3-cyanophenyl)amino]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(3-cyanoanilino)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(3-cyanoanilino)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(3-cyanoanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(3-cyanoanilino)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-4-27-19(25)16-12(3)17(20(26)28-5-2)29-18(16)23-15(24)11-22-14-8-6-7-13(9-14)10-21/h6-9,22H,4-5,11H2,1-3H3,(H,23,24)