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

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic 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] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S/c1-16-8-9-19(14-17(16)2)28-13-11-22(26)27-15-21(25)24-12-10-20(23-24)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3