(phenylmethyl) 2-[(4,5-diacetyloxy-6-hexylsulfanyl-oxan-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[(4,5-diacetyloxy-6-hexylsulfanyl-oxan-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[(4,5-diacetoxy-6-hexylsulfanyl-tetrahydropyran-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[4,5-diacetyloxy-6-(hexylthio)-2-oxanyl]methylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4,5-diacetyloxy-6-hexylsulfanyloxan-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[4,5-diacetoxy-6-(hexylthio)tetrahydropyran-2-yl]methylcarbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C29H42N2O8S MolecularWeight: 578.71738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1C(C(CC(O1)CNC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCSC1C(C(CC(O1)CNC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C

InChI

InChI=1S/C29H42N2O8S/c1-4-5-6-10-16-40-28-26(38-21(3)33)25(37-20(2)32)17-23(39-28)18-30-27(34)24-14-11-15-31(24)29(35)36-19-22-12-8-7-9-13-22/h7-9,12-13,23-26,28H,4-6,10-11,14-19H2,1-3H3,(H,30,34)