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

Systemtic Name: ethyl 2-[(4-methoxyphenyl)methylsulfanyl]-8-nitro-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 2-[(4-methoxyphenyl)methylsulfanyl]-8-nitro-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[(4-methoxyphenyl)methylthio]-8-nitro-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methoxyphenyl)methylsulfanyl]-8-nitro-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 4-keto-8-nitro-2-(p-anisylthio)-1H-quinoline-3-carboxylic acid ethyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1=O)C=CC=C2[N+](=O)[O-])SCC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1=O)C=CC=C2[N+](=O)[O-])SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H18N2O6S/c1-3-28-20(24)16-18(23)14-5-4-6-15(22(25)26)17(14)21-19(16)29-11-12-7-9-13(27-2)10-8-12/h4-10H,3,11H2,1-2H3,(H,21,23)