2-methyl-5-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-3-carboxylic acid

Systemtic Name: 2-methyl-5-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-3-carboxylic acid Openeye Name: 5-[(4-isopropylphenyl)sulfanylmethyl]-2-methyl-furan-3-carboxylic acid CAS Name: 2-methyl-5-[[(4-propan-2-ylphenyl)thio]methyl]-3-furancarboxylic acid IUPAC Name: 2-methyl-5-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-3-carboxylic acid Traditional Name: 2-methyl-5-[(p-cumenylthio)methyl]-3-furoic acid Formula: C16H18O3S MolecularWeight: 290.37732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=CC=C(C=C2)C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CSC2=CC=C(C=C2)C(C)C)C(=O)O

InChI

InChI=1S/C16H18O3S/c1-10(2)12-4-6-14(7-5-12)20-9-13-8-15(16(17)18)11(3)19-13/h4-8,10H,9H2,1-3H3,(H,17,18)