[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] pyrazine-2-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C16H15N3O4S MolecularWeight: 345.373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S/c20-14(6-9-24-12-4-2-1-3-5-12)19-15(21)11-23-16(22)13-10-17-7-8-18-13/h1-5,7-8,10H,6,9,11H2,(H,19,20,21)