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

Systemtic Name: 4-[(3,5-dimethylphenyl)sulfanylmethyl]-5-methyl-furan-2-carboxylate Openeye Name: 4-[(3,5-dimethylphenyl)sulfanylmethyl]-5-methyl-furan-2-carboxylate CAS Name: 4-[[(3,5-dimethylphenyl)thio]methyl]-5-methyl-2-furancarboxylate IUPAC Name: 4-[(3,5-dimethylphenyl)sulfanylmethyl]-5-methylfuran-2-carboxylate Traditional Name: 4-[[(3,5-dimethylphenyl)thio]methyl]-5-methyl-2-furoate Formula: C15H15O3S- MolecularWeight: 275.3428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16O3S/c1-9-4-10(2)6-13(5-9)19-8-12-7-14(15(16)17)18-11(12)3/h4-7H,8H2,1-3H3,(H,16,17)/p-1