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

Systemtic Name: dimethyl 5-[2-[(3-cyanophenyl)amino]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CNC2=CC=CC(=C2)C#N)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CNC2=CC=CC(=C2)C#N)C(=O)OC

InChI

InChI=1S/C18H17N3O5S/c1-10-14(17(23)25-2)16(27-15(10)18(24)26-3)21-13(22)9-20-12-6-4-5-11(7-12)8-19/h4-7,20H,9H2,1-3H3,(H,21,22)