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

Systemtic Name: ethyl 6,7-bis(chloranyl)-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 6,7-dichloro-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6,7-dichloro-2-[(4-methoxyphenyl)methylthio]-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dichloro-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6,7-dichloro-4-keto-2-(p-anisylthio)-1H-quinoline-3-carboxylic acid ethyl ester Formula: C20H17Cl2NO4S MolecularWeight: 438.32428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2NO4S/c1-3-27-20(25)17-18(24)13-8-14(21)15(22)9-16(13)23-19(17)28-10-11-4-6-12(26-2)7-5-11/h4-9H,3,10H2,1-2H3,(H,23,24)