2-(2-thiophen-2-ylsulfanylbutanoylamino)benzoic acid

Systemtic Name: 2-(2-thiophen-2-ylsulfanylbutanoylamino)benzoic acid Openeye Name: 2-[2-(2-thienylsulfanyl)butanoylamino]benzoic acid CAS Name: 2-[[1-oxo-2-(thiophen-2-ylthio)butyl]amino]benzoic acid IUPAC Name: 2-(2-thiophen-2-ylsulfanylbutanoylamino)benzoic acid Traditional Name: 2-[2-(2-thienylthio)butanoylamino]benzoic acid Formula: C15H15NO3S2 MolecularWeight: 321.4145

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)O)SC2=CC=CS2

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)O)SC2=CC=CS2

InChI

InChI=1S/C15H15NO3S2/c1-2-12(21-13-8-5-9-20-13)14(17)16-11-7-4-3-6-10(11)15(18)19/h3-9,12H,2H2,1H3,(H,16,17)(H,18,19)