methyl 6-chloranyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanyl-pyrazine-2-carboxylate

Systemtic Name: methyl 6-chloranyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanyl-pyrazine-2-carboxylate Openeye Name: methyl 3-(tert-butoxycarbonylamino)-6-chloro-5-methylsulfanyl-pyrazine-2-carboxylate CAS Name: 6-chloro-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(methylthio)-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 6-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanylpyrazine-2-carboxylate Traditional Name: 3-(tert-butoxycarbonylamino)-6-chloro-5-(methylthio)pyrazinic acid methyl ester Formula: C12H16ClN3O4S MolecularWeight: 333.79114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(N=C(C(=N1)SC)Cl)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(N=C(C(=N1)SC)Cl)C(=O)OC

InChI

InChI=1S/C12H16ClN3O4S/c1-12(2,3)20-11(18)16-8-6(10(17)19-4)14-7(13)9(15-8)21-5/h1-5H3,(H,15,16,18)