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

Systemtic Name: [2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-[4-(caproylamino)phenyl]-2-keto-ethyl] ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C24H25N3O4S/c1-2-3-4-9-22(29)26-18-12-10-17(11-13-18)21(28)15-31-24(30)16-32-23-14-25-19-7-5-6-8-20(19)27-23/h5-8,10-14H,2-4,9,15-16H2,1H3,(H,26,29)