[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)CSC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)CSC3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H19N3O3S/c25-19(13-28-18-12-22-16-8-4-5-9-17(16)24-18)27-20(14-6-2-1-3-7-14)21(26)23-15-10-11-15/h1-9,12,15,20H,10-11,13H2,(H,23,26)