[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-4-ylsulfanylethanoate

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-4-ylsulfanylethanoate Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl] 2-(4-pyridylsulfanyl)acetate CAS Name: 2-(pyridin-4-ylthio)acetic acid [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-pyridin-4-ylsulfanylacetate Traditional Name: 2-(4-pyridylthio)acetic acid [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl] ester Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)COC(=O)CSC2=CC=NC=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)COC(=O)CSC2=CC=NC=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6S/c1-11-7-14(20(23)24)15(25-2)8-13(11)19-16(21)9-26-17(22)10-27-12-3-5-18-6-4-12/h3-8H,9-10H2,1-2H3,(H,19,21)