3-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 3-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 3-[[2-(2-thienylmethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]amino]benzoic acid IUPAC Name: 3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(2-thenylthio)acetyl]amino]benzoic acid Formula: C14H13NO3S2 MolecularWeight: 307.38792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSCC2=CC=CS2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSCC2=CC=CS2)C(=O)O

InChI

InChI=1S/C14H13NO3S2/c16-13(9-19-8-12-5-2-6-20-12)15-11-4-1-3-10(7-11)14(17)18/h1-7H,8-9H2,(H,15,16)(H,17,18)