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

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-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-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C19H15ClN4O3S MolecularWeight: 414.8654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN4O3S/c1-11-17(20)12(2)24(23-11)15-5-3-13(4-6-15)19(26)27-10-16(25)22-18-14(9-21)7-8-28-18/h3-8H,10H2,1-2H3,(H,22,25)