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

Systemtic Name: 2-[(3-ethoxycarbonylfuran-2-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(3-ethoxycarbonyl-2-furyl)methylsulfanyl]benzoic acid CAS Name: 2-[(3-ethoxycarbonyl-2-furanyl)methylthio]benzoic acid IUPAC Name: 2-[(3-ethoxycarbonylfuran-2-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(3-carbethoxy-2-furyl)methylthio]benzoic acid Formula: C15H14O5S MolecularWeight: 306.33366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14O5S/c1-2-19-15(18)10-7-8-20-12(10)9-21-13-6-4-3-5-11(13)14(16)17/h3-8H,2,9H2,1H3,(H,16,17)