5-(4-thia-1-azaspiro[4.5]dec-1-en-3-yl)pentanoic acid

Systemtic Name: 5-(4-thia-1-azaspiro[4.5]dec-1-en-3-yl)pentanoic acid Openeye Name: 5-(4-thia-1-azaspiro[4.5]dec-1-en-3-yl)pentanoic acid CAS Name: 5-(4-thia-1-azaspiro[4.5]dec-1-en-3-yl)pentanoic acid IUPAC Name: 5-(4-thia-1-azaspiro[4.5]dec-1-en-3-yl)pentanoic acid Traditional Name: 5-(4-thia-1-azaspiro[4.5]dec-1-en-3-yl)valeric acid Formula: C13H21NO2S MolecularWeight: 255.37634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)N=CC(S2)CCCCC(=O)O

Isomeric SMILES

C1CCC2(CC1)N=CC(S2)CCCCC(=O)O

InChI

InChI=1S/C13H21NO2S/c15-12(16)7-3-2-6-11-10-14-13(17-11)8-4-1-5-9-13/h10-11H,1-9H2,(H,15,16)