2-[(1-ethoxy-1-oxidanylidene-octan-2-yl)amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(1-ethoxy-1-oxidanylidene-octan-2-yl)amino]-3-sulfanyl-propanoic acid Openeye Name: 2-(1-ethoxycarbonylheptylamino)-3-sulfanyl-propanoic acid CAS Name: 2-[(1-ethoxy-1-oxooctan-2-yl)amino]-3-mercaptopropanoic acid IUPAC Name: 2-[(1-ethoxy-1-oxooctan-2-yl)amino]-3-sulfanylpropanoic acid Traditional Name: 2-(1-carbethoxyheptylamino)-3-mercapto-propionic acid Formula: C13H25NO4S MolecularWeight: 291.4069

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OCC)NC(CS)C(=O)O

Isomeric SMILES

CCCCCCC(C(=O)OCC)NC(CS)C(=O)O

InChI

InChI=1S/C13H25NO4S/c1-3-5-6-7-8-10(13(17)18-4-2)14-11(9-19)12(15)16/h10-11,14,19H,3-9H2,1-2H3,(H,15,16)