[2-[[4-(4-nitrophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-[[4-(4-nitrophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrophenyl)sulfanylanilino]-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-[4-[(4-nitrophenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)sulfanylanilino]-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-keto-2-[4-[(4-nitrophenyl)thio]anilino]ethyl] ester Formula: C25H19N3O5S MolecularWeight: 473.50046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=CC=C(C=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=CC=C(C=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O5S/c1-16-14-22(21-4-2-3-5-23(21)26-16)25(30)33-15-24(29)27-17-6-10-19(11-7-17)34-20-12-8-18(9-13-20)28(31)32/h2-14H,15H2,1H3,(H,27,29)