[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O3S/c1-12-9-13(2)23(22-12)16-5-3-14(4-6-16)19(25)26-11-17(24)21-18-15(10-20)7-8-27-18/h3-9H,11H2,1-2H3,(H,21,24)