[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-15(2)24(16-8-4-3-5-9-16)20(25)13-27-21(26)14-28-19-12-22-17-10-6-7-11-18(17)23-19/h3-12,15H,13-14H2,1-2H3