[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C17H19N3O3S/c1-13-9-20-15(10-19-13)17(22)23-11-16(21)18-7-8-24-12-14-5-3-2-4-6-14/h2-6,9-10H,7-8,11-12H2,1H3,(H,18,21)