methyl 2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: methyl 2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-(p-anisidino)ethyl]thio]-6-methyl-1H-quinoline-3-carboxylic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)OC)SCC(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)OC)SCC(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H20N2O5S/c1-12-4-9-16-15(10-12)19(25)18(21(26)28-3)20(23-16)29-11-17(24)22-13-5-7-14(27-2)8-6-13/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25)