[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C15H16N4O3S MolecularWeight: 332.37754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=NC=CN=C2N

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=NC=CN=C2N

InChI

InChI=1S/C15H16N4O3S/c16-14-13(18-6-7-19-14)15(21)22-10-12(20)17-8-9-23-11-4-2-1-3-5-11/h1-7H,8-10H2,(H2,16,19)(H,17,20)