methyl 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: methyl 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[[2-(homoveratrylamino)-2-keto-ethyl]thio]-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=C(C(=O)C3=CC=CC=C3N2)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=C(C(=O)C3=CC=CC=C3N2)C(=O)OC)OC

InChI

InChI=1S/C23H24N2O6S/c1-29-17-9-8-14(12-18(17)30-2)10-11-24-19(26)13-32-22-20(23(28)31-3)21(27)15-6-4-5-7-16(15)25-22/h4-9,12H,10-11,13H2,1-3H3,(H,24,26)(H,25,27)