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

Systemtic Name: [2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-(4-benzyloxyanilino)-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-oxo-2-(4-phenylmethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-(4-benzoxyanilino)-2-keto-ethyl] ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)COC(=O)CSC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)COC(=O)CSC3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C25H21N3O4S/c29-23(27-19-10-12-20(13-11-19)31-15-18-6-2-1-3-7-18)16-32-25(30)17-33-24-14-26-21-8-4-5-9-22(21)28-24/h1-14H,15-17H2,(H,27,29)