[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O3S/c1-15-8-9-19(16(2)12-15)27-14-21(25)26-13-20(24)23-11-10-18(22-23)17-6-4-3-5-7-17/h3-9,12H,10-11,13-14H2,1-2H3