[1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=CN(N=C2)C

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=CN(N=C2)C

InChI

InChI=1S/C13H12N4O3S/c1-8(20-13(19)10-6-15-17(2)7-10)11(18)16-12-9(5-14)3-4-21-12/h3-4,6-8H,1-2H3,(H,16,18)