[2-[[4-(4-nitrophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[[4-(4-nitrophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrophenyl)sulfanylanilino]-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-[4-[(4-nitrophenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)sulfanylanilino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-keto-2-[4-[(4-nitrophenyl)thio]anilino]ethyl] ester Formula: C27H23N3O5S MolecularWeight: 501.55362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=CC=C(C=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=CC=C(C=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H23N3O5S/c1-3-23-17(2)26(22-6-4-5-7-24(22)29-23)27(32)35-16-25(31)28-18-8-12-20(13-9-18)36-21-14-10-19(11-15-21)30(33)34/h4-15H,3,16H2,1-2H3,(H,28,31)