[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic 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] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32)C

InChI

InChI=1S/C21H22N2O4S/c1-14-7-8-16(11-15(14)2)28-10-9-21(26)27-13-20(25)23-12-19(24)22-17-5-3-4-6-18(17)23/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,24)