2-(butoxycarbonylamino)-8-sulfanylidene-octanoic acid

Systemtic Name: 2-(butoxycarbonylamino)-8-sulfanylidene-octanoic acid Openeye Name: 2-(butoxycarbonylamino)-8-thioxo-octanoic acid CAS Name: 2-[[butoxy(oxo)methyl]amino]-8-sulfanylideneoctanoic acid IUPAC Name: 2-(butoxycarbonylamino)-8-sulfanylideneoctanoic acid Traditional Name: 2-(butoxycarbonylamino)-8-thioxo-caprylic acid Formula: C13H23NO4S MolecularWeight: 289.39102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(CCCCCC=S)C(=O)O

Isomeric SMILES

CCCCOC(=O)NC(CCCCCC=S)C(=O)O

InChI

InChI=1S/C13H23NO4S/c1-2-3-9-18-13(17)14-11(12(15)16)8-6-4-5-7-10-19/h10-11H,2-9H2,1H3,(H,14,17)(H,15,16)