[3-(heptadecylcarbamoylsulfanyl)oxan-2-yl]methyl N-(pyridin-2-ylmethyl)carbamate

Systemtic Name: [3-(heptadecylcarbamoylsulfanyl)oxan-2-yl]methyl N-(pyridin-2-ylmethyl)carbamate Openeye Name: [3-(heptadecylcarbamoylsulfanyl)tetrahydropyran-2-yl]methyl N-(2-pyridylmethyl)carbamate CAS Name: N-(2-pyridinylmethyl)carbamic acid [3-[[(heptadecylamino)-oxomethyl]thio]-2-oxanyl]methyl ester IUPAC Name: [3-(heptadecylcarbamoylsulfanyl)oxan-2-yl]methyl N-(pyridin-2-ylmethyl)carbamate Traditional Name: N-(2-pyridylmethyl)carbamic acid [3-(heptadecylcarbamoylthio)tetrahydropyran-2-yl]methyl ester Formula: C31H53N3O4S MolecularWeight: 563.83522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)SC1CCCOC1COC(=O)NCC2=CC=CC=N2

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)SC1CCCOC1COC(=O)NCC2=CC=CC=N2

InChI

InChI=1S/C31H53N3O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-23-33-31(36)39-29-21-19-24-37-28(29)26-38-30(35)34-25-27-20-16-18-22-32-27/h16,18,20,22,28-29H,2-15,17,19,21,23-26H2,1H3,(H,33,36)(H,34,35)