methyl 3-[[1-(4-methoxycyclohexyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]propanoate

Systemtic Name: methyl 3-[[1-(4-methoxycyclohexyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]propanoate Openeye Name: methyl 3-[[1-(4-methoxycyclohexyl)tetrazol-5-yl]methylsulfanyl]propanoate CAS Name: 3-[[1-(4-methoxycyclohexyl)-5-tetrazolyl]methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-methoxycyclohexyl)tetrazol-5-yl]methylsulfanyl]propanoate Traditional Name: 3-[[1-(4-methoxycyclohexyl)tetrazol-5-yl]methylthio]propionic acid methyl ester Formula: C13H22N4O3S MolecularWeight: 314.40378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)N2C(=NN=N2)CSCCC(=O)OC

Isomeric SMILES

COC1CCC(CC1)N2C(=NN=N2)CSCCC(=O)OC

InChI

InChI=1S/C13H22N4O3S/c1-19-11-5-3-10(4-6-11)17-12(14-15-16-17)9-21-8-7-13(18)20-2/h10-11H,3-9H2,1-2H3