2-sulfanylpropanoic acid; 3,4,5-trimethoxy-N-pentyl-benzamide

Systemtic Name: 2-sulfanylpropanoic acid; 3,4,5-trimethoxy-N-pentyl-benzamide Openeye Name: 2-sulfanylpropanoic acid; 3,4,5-trimethoxy-N-pentyl-benzamide CAS Name: 2-mercaptopropanoic acid; 3,4,5-trimethoxy-N-pentylbenzamide IUPAC Name: 2-sulfanylpropanoic acid; 3,4,5-trimethoxy-N-pentylbenzamide Traditional Name: N-amyl-3,4,5-trimethoxy-benzamide; 2-mercaptopropionic acid Formula: C18H29NO6S MolecularWeight: 387.49096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC(=C(C(=C1)OC)OC)OC.CC(C(=O)O)S

Isomeric SMILES

CCCCCNC(=O)C1=CC(=C(C(=C1)OC)OC)OC.CC(C(=O)O)S

InChI

InChI=1S/C15H23NO4.C3H6O2S/c1-5-6-7-8-16-15(17)11-9-12(18-2)14(20-4)13(10-11)19-3;1-2(6)3(4)5/h9-10H,5-8H2,1-4H3,(H,16,17);2,6H,1H3,(H,4,5)