[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetate CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-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)CC(=O)OCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3S/c1-13-17(14(2)24(23-13)16-6-4-3-5-7-16)10-19(26)27-12-18(25)22-20-15(11-21)8-9-28-20/h3-9H,10,12H2,1-2H3,(H,22,25)