ethyl 2-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]-4-oxidanylidene-1H-quinoline-6-carboxylate

Systemtic Name: ethyl 2-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: ethyl 2-[[2-(2-methylanilino)-2-oxo-ethyl]sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-[[[2-(2-methylanilino)-2-oxoethyl]thio]methyl]-4-oxo-1H-quinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-methylanilino)-2-oxoethyl]sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-[[[2-keto-2-(o-toluidino)ethyl]thio]methyl]-1H-quinoline-6-carboxylic acid ethyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)CSCC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)CSCC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C22H22N2O4S/c1-3-28-22(27)15-8-9-19-17(10-15)20(25)11-16(23-19)12-29-13-21(26)24-18-7-5-4-6-14(18)2/h4-11H,3,12-13H2,1-2H3,(H,23,25)(H,24,26)