5-chloranyl-2-[2-[2-(cyclododecylamino)-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 5-chloranyl-2-[2-[2-(cyclododecylamino)-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoic acid Openeye Name: 5-chloro-2-[[2-[2-(cyclododecylamino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoic acid CAS Name: 5-chloro-2-[[2-[[2-(cyclododecylamino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[2-[2-(cyclododecylamino)-2-oxoethyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 5-chloro-2-[[2-[[2-(cyclododecylamino)-2-keto-ethyl]thio]acetyl]amino]benzoic acid Formula: C23H33ClN2O4S MolecularWeight: 469.03712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)NC(=O)CSCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CCCCCC(CCCCC1)NC(=O)CSCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C23H33ClN2O4S/c24-17-12-13-20(19(14-17)23(29)30)26-22(28)16-31-15-21(27)25-18-10-8-6-4-2-1-3-5-7-9-11-18/h12-14,18H,1-11,15-16H2,(H,25,27)(H,26,28)(H,29,30)