[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C21H21N3O6S/c1-27-16-8-13(9-17(28-2)21(16)29-3)23-18(25)11-30-20(26)12-31-19-10-22-14-6-4-5-7-15(14)24-19/h4-10H,11-12H2,1-3H3,(H,23,25)