3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Openeye Name: 3-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzofuran-2-carboxylic acid CAS Name: 3-[(4,5-dihydrothiazol-2-ylthio)methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Traditional Name: 3-[(2-thiazolin-2-ylthio)methyl]coumarilic acid Formula: C13H11NO3S2 MolecularWeight: 293.36134

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C13H11NO3S2/c15-12(16)11-9(7-19-13-14-5-6-18-13)8-3-1-2-4-10(8)17-11/h1-4H,5-7H2,(H,15,16)