[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)C2=NC=CN=C2N

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)C2=NC=CN=C2N

InChI

InChI=1S/C14H14N4O3S/c1-22-10-5-3-2-4-9(10)18-11(19)8-21-14(20)12-13(15)17-7-6-16-12/h2-7H,8H2,1H3,(H2,15,17)(H,18,19)