[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfanylbenzoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfanylbenzoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCC(=O)NC2=C(C=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCC(=O)NC2=C(C=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C18H18N2O5S/c1-3-26-15-10-5-4-8-13(15)18(22)25-11-16(21)19-17-12(2)7-6-9-14(17)20(23)24/h4-10H,3,11H2,1-2H3,(H,19,21)