[2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-[4-(dimethylcarbamoyl)anilino]-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-[4-[dimethylamino(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-[4-(dimethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4S/c1-25(2)21(28)14-7-9-15(10-8-14)23-18(26)12-29-20(27)13-30-19-11-22-16-5-3-4-6-17(16)24-19/h3-11H,12-13H2,1-2H3,(H,23,26)