4-[5-methyl-2-(12-sulfododecanoylamino)thiophen-3-yl]sulfanylbutanoic acid

Systemtic Name: 4-[5-methyl-2-(12-sulfododecanoylamino)thiophen-3-yl]sulfanylbutanoic acid Openeye Name: 4-[[5-methyl-2-(12-sulfododecanoylamino)-3-thienyl]sulfanyl]butanoic acid CAS Name: 4-[[5-methyl-2-[(1-oxo-12-sulfododecyl)amino]-3-thiophenyl]thio]butanoic acid IUPAC Name: 4-[5-methyl-2-(12-sulfododecanoylamino)thiophen-3-yl]sulfanylbutanoic acid Traditional Name: 4-[[5-methyl-2-(12-sulfododecanoylamino)-3-thienyl]thio]butyric acid Formula: C21H35NO6S3 MolecularWeight: 493.7007

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CCCCCCCCCCCS(=O)(=O)O)SCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CCCCCCCCCCCS(=O)(=O)O)SCCCC(=O)O

InChI

InChI=1S/C21H35NO6S3/c1-17-16-18(29-14-11-13-20(24)25)21(30-17)22-19(23)12-9-7-5-3-2-4-6-8-10-15-31(26,27)28/h16H,2-15H2,1H3,(H,22,23)(H,24,25)(H,26,27,28)