[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O3S/c1-12-9-19-14(10-18-12)16(21)22-11-15(20)17-7-8-23-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,17,20)