2-[(5-methoxycarbonyl-4-methyl-furan-2-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(5-methoxycarbonyl-4-methyl-furan-2-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(5-methoxycarbonyl-4-methyl-2-furyl)methylsulfanyl]benzoic acid CAS Name: 2-[(5-methoxycarbonyl-4-methyl-2-furanyl)methylthio]benzoic acid IUPAC Name: 2-[(5-methoxycarbonyl-4-methylfuran-2-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(5-carbomethoxy-4-methyl-2-furyl)methylthio]benzoic acid Formula: C15H14O5S MolecularWeight: 306.33366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CSC2=CC=CC=C2C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)CSC2=CC=CC=C2C(=O)O)C(=O)OC

InChI

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