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

Systemtic Name: [2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic 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] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-keto-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)COC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)COC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C16H19N3O3S/c1-10-15(11(2)19(3)18-10)17-14(20)9-22-16(21)12-5-7-13(23-4)8-6-12/h5-8H,9H2,1-4H3,(H,17,20)