[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-oxo-2-[(1,3,5-trimethyl-4-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-keto-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC(=O)NC2=C(N(N=C2C)C)C

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC(=O)NC2=C(N(N=C2C)C)C

InChI

InChI=1S/C17H21N3O3S/c1-11-7-5-6-8-14(11)24-10-16(22)23-9-15(21)18-17-12(2)19-20(4)13(17)3/h5-8H,9-10H2,1-4H3,(H,18,21)