(phenylmethyl) N-(5-methylsulfanyl-1-nitro-2-oxidanylidene-pentan-3-yl)carbamate

Systemtic Name: (phenylmethyl) N-(5-methylsulfanyl-1-nitro-2-oxidanylidene-pentan-3-yl)carbamate Openeye Name: benzyl N-[1-(2-methylsulfanylethyl)-3-nitro-2-oxo-propyl]carbamate CAS Name: N-[5-(methylthio)-1-nitro-2-oxopentan-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(5-methylsulfanyl-1-nitro-2-oxopentan-3-yl)carbamate Traditional Name: N-[2-keto-1-[2-(methylthio)ethyl]-3-nitro-propyl]carbamic acid benzyl ester Formula: C14H18N2O5S MolecularWeight: 326.36812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C[N+](=O)[O-])NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CSCCC(C(=O)C[N+](=O)[O-])NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C14H18N2O5S/c1-22-8-7-12(13(17)9-16(19)20)15-14(18)21-10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,18)