ethyl 4-(4-methylphenyl)sulfanyl-2-(3-oxidanylidene-4H-quinoxalin-2-yl)butanoate

Systemtic Name: ethyl 4-(4-methylphenyl)sulfanyl-2-(3-oxidanylidene-4H-quinoxalin-2-yl)butanoate Openeye Name: ethyl 2-(3-oxo-4H-quinoxalin-2-yl)-4-(p-tolylsulfanyl)butanoate CAS Name: 4-[(4-methylphenyl)thio]-2-(3-oxo-4H-quinoxalin-2-yl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)sulfanyl-2-(3-oxo-4H-quinoxalin-2-yl)butanoate Traditional Name: 2-(3-keto-4H-quinoxalin-2-yl)-4-(p-tolylthio)butyric acid ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC1=CC=C(C=C1)C)C2=NC3=CC=CC=C3NC2=O

Isomeric SMILES

CCOC(=O)C(CCSC1=CC=C(C=C1)C)C2=NC3=CC=CC=C3NC2=O

InChI

InChI=1S/C21H22N2O3S/c1-3-26-21(25)16(12-13-27-15-10-8-14(2)9-11-15)19-20(24)23-18-7-5-4-6-17(18)22-19/h4-11,16H,3,12-13H2,1-2H3,(H,23,24)