ethyl 1-(phenylmethyl)-4-propylsulfanylcarbonyl-pyrrolidine-3-carboxylate

Systemtic Name: ethyl 1-(phenylmethyl)-4-propylsulfanylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: ethyl 1-benzyl-4-propylsulfanylcarbonyl-pyrrolidine-3-carboxylate CAS Name: 4-[oxo-(propylthio)methyl]-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-propylsulfanylcarbonylpyrrolidine-3-carboxylate Traditional Name: 1-benzyl-4-(propylthio)carbonyl-pyrrolidine-3-carboxylic acid ethyl ester Formula: C18H25NO3S MolecularWeight: 335.461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=O)C1CN(CC1C(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCCSC(=O)C1CN(CC1C(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C18H25NO3S/c1-3-10-23-18(21)16-13-19(11-14-8-6-5-7-9-14)12-15(16)17(20)22-4-2/h5-9,15-16H,3-4,10-13H2,1-2H3