4-(2-octanoylsulfanylethanoylamino)benzoic acid

Systemtic Name: 4-(2-octanoylsulfanylethanoylamino)benzoic acid Openeye Name: 4-[(2-octanoylsulfanylacetyl)amino]benzoic acid CAS Name: 4-[[1-oxo-2-(1-oxooctylthio)ethyl]amino]benzoic acid IUPAC Name: 4-[(2-octanoylsulfanylacetyl)amino]benzoic acid Traditional Name: 4-[[2-(caprylylthio)acetyl]amino]benzoic acid Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)SCC(=O)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)SCC(=O)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C17H23NO4S/c1-2-3-4-5-6-7-16(20)23-12-15(19)18-14-10-8-13(9-11-14)17(21)22/h8-11H,2-7,12H2,1H3,(H,18,19)(H,21,22)