[1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl] pyrazine-2-carboxylate

Systemtic Name: [1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl] pyrazine-2-carboxylate Openeye Name: [1-methyl-2-(2-methylsulfanylanilino)-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [1-[2-(methylthio)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylsulfanylanilino)-1-oxopropan-2-yl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-keto-1-methyl-2-[2-(methylthio)anilino]ethyl] ester Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)OC(=O)C2=NC=CN=C2

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC)OC(=O)C2=NC=CN=C2

InChI

InChI=1S/C15H15N3O3S/c1-10(21-15(20)12-9-16-7-8-17-12)14(19)18-11-5-3-4-6-13(11)22-2/h3-10H,1-2H3,(H,18,19)