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

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-oxidanylidene-2-(1,3,5-trimethylpyrazol-4-yl)ethanoate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetate CAS Name: 2-oxo-2-(1,3,5-trimethyl-4-pyrazolyl)acetic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetate Traditional Name: 2-keto-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)C(=O)OCC(=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)C(=O)OCC(=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H19N3O4S/c1-10-15(11(2)20(3)19-10)16(22)17(23)24-9-14(21)18-12-5-7-13(25-4)8-6-12/h5-8H,9H2,1-4H3,(H,18,21)