methyl 4-(2-methyl-4-propylsulfanyl-1,3-oxathiolan-2-yl)butanoate

Systemtic Name: methyl 4-(2-methyl-4-propylsulfanyl-1,3-oxathiolan-2-yl)butanoate Openeye Name: methyl 4-(2-methyl-4-propylsulfanyl-1,3-oxathiolan-2-yl)butanoate CAS Name: 4-[2-methyl-4-(propylthio)-1,3-oxathiolan-2-yl]butanoic acid methyl ester IUPAC Name: methyl 4-(2-methyl-4-propylsulfanyl-1,3-oxathiolan-2-yl)butanoate Traditional Name: 4-[2-methyl-4-(propylthio)-1,3-oxathiolan-2-yl]butyric acid methyl ester Formula: C12H22O3S2 MolecularWeight: 278.43128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1COC(S1)(C)CCCC(=O)OC

Isomeric SMILES

CCCSC1COC(S1)(C)CCCC(=O)OC

InChI

InChI=1S/C12H22O3S2/c1-4-8-16-11-9-15-12(2,17-11)7-5-6-10(13)14-3/h11H,4-9H2,1-3H3