[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [(2R)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [(1R)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OC(C)C(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)O[C@H](C)C(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C20H18N4O3S/c1-12-17(13(2)24(23-12)16-7-5-4-6-8-16)20(26)27-14(3)18(25)22-19-15(11-21)9-10-28-19/h4-10,14H,1-3H3,(H,22,25)/t14-/m1/s1