2-[(3-methoxycarbonylfuran-2-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(3-methoxycarbonylfuran-2-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(3-methoxycarbonyl-2-furyl)methylsulfanyl]benzoic acid CAS Name: 2-[(3-methoxycarbonyl-2-furanyl)methylthio]benzoic acid IUPAC Name: 2-[(3-methoxycarbonylfuran-2-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(3-carbomethoxy-2-furyl)methylthio]benzoic acid Formula: C14H12O5S MolecularWeight: 292.30708

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

COC(=O)C1=C(OC=C1)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H12O5S/c1-18-14(17)9-6-7-19-11(9)8-20-12-5-3-2-4-10(12)13(15)16/h2-7H,8H2,1H3,(H,15,16)