4-[[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(2-thienylmethylsulfanyl)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(2-thenylthio)acetyl]amino]methyl]benzoic acid Formula: C15H15NO3S2 MolecularWeight: 321.4145

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO3S2/c17-14(10-20-9-13-2-1-7-21-13)16-8-11-3-5-12(6-4-11)15(18)19/h1-7H,8-10H2,(H,16,17)(H,18,19)