[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid (2-keto-2-mesityl-ethyl) ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2)C

InChI

InChI=1S/C21H20N2O3S/c1-13-8-14(2)21(15(3)9-13)18(24)11-26-20(25)12-27-19-10-22-16-6-4-5-7-17(16)23-19/h4-10H,11-12H2,1-3H3