4-(2-thiophen-2-ylethylsulfanylmethyl)benzoic acid

Systemtic Name: 4-(2-thiophen-2-ylethylsulfanylmethyl)benzoic acid Openeye Name: 4-[2-(2-thienyl)ethylsulfanylmethyl]benzoic acid CAS Name: 4-[(2-thiophen-2-ylethylthio)methyl]benzoic acid IUPAC Name: 4-(2-thiophen-2-ylethylsulfanylmethyl)benzoic acid Traditional Name: 4-[[2-(2-thienyl)ethylthio]methyl]benzoic acid Formula: C14H14O2S2 MolecularWeight: 278.38976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCSCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CSC(=C1)CCSCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H14O2S2/c15-14(16)12-5-3-11(4-6-12)10-17-9-7-13-2-1-8-18-13/h1-6,8H,7,9-10H2,(H,15,16)