9-[(1-ethoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]-9-oxidanylidene-nonanoic acid

Systemtic Name: 9-[(1-ethoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]-9-oxidanylidene-nonanoic acid Openeye Name: 9-[[2-ethoxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-9-oxo-nonanoic acid CAS Name: 9-[(1-ethoxy-3-mercapto-1-oxopropan-2-yl)amino]-9-oxononanoic acid IUPAC Name: 9-[(1-ethoxy-1-oxo-3-sulfanylpropan-2-yl)amino]-9-oxononanoic acid Traditional Name: 9-[[2-ethoxy-2-keto-1-(mercaptomethyl)ethyl]amino]-9-keto-pelargonic acid Formula: C14H25NO5S MolecularWeight: 319.417

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)CCCCCCCC(=O)O

Isomeric SMILES

CCOC(=O)C(CS)NC(=O)CCCCCCCC(=O)O

InChI

InChI=1S/C14H25NO5S/c1-2-20-14(19)11(10-21)15-12(16)8-6-4-3-5-7-9-13(17)18/h11,21H,2-10H2,1H3,(H,15,16)(H,17,18)