[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C17H18N4O5S/c1-10-7-11(2)19-17(18-10)27-9-16(23)26-8-15(22)20-13-5-4-6-14(12(13)3)21(24)25/h4-7H,8-9H2,1-3H3,(H,20,22)