ethyl 5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-1H-quinoline-3-carboxylate CAS Name: 5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylthio]-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 4-keto-5,6,7-trimethoxy-2-(p-anisylthio)-1H-quinoline-3-carboxylic acid ethyl ester Formula: C23H25NO7S MolecularWeight: 459.5121

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(=C(C(=C2C1=O)OC)OC)OC)SCC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(=C(C(=C2C1=O)OC)OC)OC)SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H25NO7S/c1-6-31-23(26)18-19(25)17-15(11-16(28-3)20(29-4)21(17)30-5)24-22(18)32-12-13-7-9-14(27-2)10-8-13/h7-11H,6,12H2,1-5H3,(H,24,25)