[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]ethanoate

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]ethanoate Openeye Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetate CAS Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]acetic acid [2-(4-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetate Traditional Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]acetic acid (2-keto-2-p-phenetyl-ethyl) ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)COC(=O)CSC2=C(NN=C2C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)CSC2=C(NN=C2C)C

InChI

InChI=1S/C17H20N2O4S/c1-4-22-14-7-5-13(6-8-14)15(20)9-23-16(21)10-24-17-11(2)18-19-12(17)3/h5-8H,4,9-10H2,1-3H3,(H,18,19)