2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[[2-(3-thienyl)thiazol-4-yl]methylsulfanyl]benzoic acid CAS Name: 2-[[2-(3-thiophenyl)-4-thiazolyl]methylthio]benzoic acid IUPAC Name: 2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[[2-(3-thienyl)thiazol-4-yl]methylthio]benzoic acid Formula: C15H11NO2S3 MolecularWeight: 333.44834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC2=CSC(=N2)C3=CSC=C3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=CSC(=N2)C3=CSC=C3

InChI

InChI=1S/C15H11NO2S3/c17-15(18)12-3-1-2-4-13(12)20-8-11-9-21-14(16-11)10-5-6-19-7-10/h1-7,9H,8H2,(H,17,18)