[1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-(2,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-13-8-9-16(14(2)10-13)24-21(26)15(3)27-20(25)12-28-19-11-22-17-6-4-5-7-18(17)23-19/h4-11,15H,12H2,1-3H3,(H,24,26)