ethyl 6-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 6-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 6-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-methoxy-2-[(4-methoxyphenyl)methylthio]-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 4-keto-6-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=C(C=C2)OC)SCC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1=O)C=C(C=C2)OC)SCC3=CC=C(C=C3)OC

InChI

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