2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-sulfanylidene-octanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-sulfanylidene-octanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-8-thioxo-octanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-sulfanylideneoctanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-sulfanylideneoctanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-8-thioxo-caprylic acid Formula: C13H23NO4S MolecularWeight: 289.39102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCCC=S)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCCCC=S)C(=O)O

InChI

InChI=1S/C13H23NO4S/c1-13(2,3)18-12(17)14-10(11(15)16)8-6-4-5-7-9-19/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)