4-[(2-thiophen-2-ylsulfanylethanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(2-thiophen-2-ylsulfanylethanoylamino)methyl]benzoic acid Openeye Name: 4-[[[2-(2-thienylsulfanyl)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[1-oxo-2-(thiophen-2-ylthio)ethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2-thiophen-2-ylsulfanylacetyl)amino]methyl]benzoic acid Traditional Name: 4-[[[2-(2-thienylthio)acetyl]amino]methyl]benzoic acid Formula: C14H13NO3S2 MolecularWeight: 307.38792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)SCC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CSC(=C1)SCC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

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