ethyl 2-[(4-methoxyphenyl)methylsulfanyl]-8-methyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[(4-methoxyphenyl)methylsulfanyl]-8-methyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 2-[(4-methoxyphenyl)methylsulfanyl]-8-methyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[(4-methoxyphenyl)methylthio]-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methoxyphenyl)methylsulfanyl]-8-methyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 4-keto-8-methyl-2-(p-anisylthio)-1H-quinoline-3-carboxylic acid ethyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1=O)C=CC=C2C)SCC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1=O)C=CC=C2C)SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21NO4S/c1-4-26-21(24)17-19(23)16-7-5-6-13(2)18(16)22-20(17)27-12-14-8-10-15(25-3)11-9-14/h5-11H,4,12H2,1-3H3,(H,22,23)