[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate

Systemtic Name: [2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate Openeye Name: [2-(2-methoxyphenyl)-2-oxo-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylacetate CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]acetic acid [2-(2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyphenyl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetate Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetic acid [2-keto-2-(2-methoxyphenyl)ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)OCC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)OCC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C22H22N2O4S/c1-15-22(16(2)24(23-15)17-9-5-4-6-10-17)29-14-21(26)28-13-19(25)18-11-7-8-12-20(18)27-3/h4-12H,13-14H2,1-3H3