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

Systemtic Name: [2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)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-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid [2-keto-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)COC(=O)CSC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)COC(=O)CSC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5S/c1-10-16(11(2)19(3)18-10)17-14(21)8-25-15(22)9-26-13-7-5-4-6-12(13)20(23)24/h4-7H,8-9H2,1-3H3,(H,17,21)