(3-nitrophenyl) 2-[2-[ethyl-(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: (3-nitrophenyl) 2-[2-[ethyl-(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: (3-nitrophenyl) 2-[2-(N-ethyl-3-methyl-anilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(N-ethyl-3-methylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(N-ethyl-3-methyl-anilino)-2-keto-ethyl]thio]nicotinic acid (3-nitrophenyl) ester Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C(=O)CSC2=C(C=CC=N2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C(=O)CSC2=C(C=CC=N2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O5S/c1-3-25(17-8-4-7-16(2)13-17)21(27)15-32-22-20(11-6-12-24-22)23(28)31-19-10-5-9-18(14-19)26(29)30/h4-14H,3,15H2,1-2H3