[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)CSC1=NC2=CC=CC=C2N=C1

Isomeric SMILES

CC(C)C(C)NC(=O)COC(=O)CSC1=NC2=CC=CC=C2N=C1

InChI

InChI=1S/C17H21N3O3S/c1-11(2)12(3)19-15(21)9-23-17(22)10-24-16-8-18-13-6-4-5-7-14(13)20-16/h4-8,11-12H,9-10H2,1-3H3,(H,19,21)