5-methyl-4-[(3-methylphenyl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-methyl-4-[(3-methylphenyl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-methyl-4-(m-tolylsulfanylmethyl)furan-2-carboxylate CAS Name: 5-methyl-4-[[(3-methylphenyl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-methyl-4-[(3-methylphenyl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-methyl-4-[(m-tolylthio)methyl]-2-furoate Formula: C14H13O3S- MolecularWeight: 261.31622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SCC2=C(OC(=C2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)SCC2=C(OC(=C2)C(=O)[O-])C

InChI

InChI=1S/C14H14O3S/c1-9-4-3-5-12(6-9)18-8-11-7-13(14(15)16)17-10(11)2/h3-7H,8H2,1-2H3,(H,15,16)/p-1