[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C21H20N2O5S/c1-29-15-8-6-14(7-9-15)18(24)10-11-21(27)28-13-20(26)23-12-19(25)22-16-4-2-3-5-17(16)23/h2-9H,10-13H2,1H3,(H,22,25)