(phenylmethyl) 2-(2-methylsulfanylethanoyl)pyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(2-methylsulfanylethanoyl)pyrazolidine-1-carboxylate Openeye Name: benzyl 2-(2-methylsulfanylacetyl)pyrazolidine-1-carboxylate CAS Name: 2-[2-(methylthio)-1-oxoethyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-methylsulfanylacetyl)pyrazolidine-1-carboxylate Traditional Name: 2-[2-(methylthio)acetyl]pyrazolidine-1-carboxylic acid benzyl ester Formula: C14H18N2O3S MolecularWeight: 294.36932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CSCC(=O)N1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H18N2O3S/c1-20-11-13(17)15-8-5-9-16(15)14(18)19-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3