[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl] ester Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=NC=CN=C2)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=NC=CN=C2)SCC(=O)N

InChI

InChI=1S/C15H14N4O4S/c16-13(20)9-24-12-4-2-1-3-10(12)19-14(21)8-23-15(22)11-7-17-5-6-18-11/h1-7H,8-9H2,(H2,16,20)(H,19,21)