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

Systemtic Name: ethyl 8-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 8-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-1H-quinoline-3-carboxylate CAS Name: 8-methoxy-2-[(4-methoxyphenyl)methylthio]-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 4-keto-8-methoxy-2-(p-anisylthio)-1H-quinoline-3-carboxylic acid ethyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1=O)C=CC=C2OC)SCC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1=O)C=CC=C2OC)SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21NO5S/c1-4-27-21(24)17-19(23)15-6-5-7-16(26-3)18(15)22-20(17)28-12-13-8-10-14(25-2)11-9-13/h5-11H,4,12H2,1-3H3,(H,22,23)