[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] quinoxaline-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] quinoxaline-6-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] quinoxaline-6-carboxylate CAS Name: 6-quinoxalinecarboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] quinoxaline-6-carboxylate Traditional Name: quinoxaline-6-carboxylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)C2=CC3=NC=CN=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)C2=CC3=NC=CN=C3C=C2

InChI

InChI=1S/C20H19N3O3S/c24-19(23-10-11-27-14-15-4-2-1-3-5-15)13-26-20(25)16-6-7-17-18(12-16)22-9-8-21-17/h1-9,12H,10-11,13-14H2,(H,23,24)