[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=NC=CN=C2

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=NC=CN=C2

InChI

InChI=1S/C14H12N2O3S/c1-20-11-4-2-10(3-5-11)13(17)9-19-14(18)12-8-15-6-7-16-12/h2-8H,9H2,1H3