[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] pyrazine-2-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=NC=CN=C2

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=NC=CN=C2

InChI

InChI=1S/C15H15N3O3S/c19-14(11-21-15(20)13-10-16-6-7-17-13)18-8-9-22-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,18,19)