[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O4S/c25-17(24-20(27)22-10-14-6-2-1-3-7-14)12-28-19(26)13-29-18-11-21-15-8-4-5-9-16(15)23-18/h1-9,11H,10,12-13H2,(H2,22,24,25,27)