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

Systemtic Name: 4-[(3-methoxyphenyl)sulfanylmethyl]-5-methyl-furan-2-carboxylic acid Openeye Name: 4-[(3-methoxyphenyl)sulfanylmethyl]-5-methyl-furan-2-carboxylic acid CAS Name: 4-[[(3-methoxyphenyl)thio]methyl]-5-methyl-2-furancarboxylic acid IUPAC Name: 4-[(3-methoxyphenyl)sulfanylmethyl]-5-methylfuran-2-carboxylic acid Traditional Name: 4-[[(3-methoxyphenyl)thio]methyl]-5-methyl-2-furoic acid Formula: C14H14O4S MolecularWeight: 278.32356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O4S/c1-9-10(6-13(18-9)14(15)16)8-19-12-5-3-4-11(7-12)17-2/h3-7H,8H2,1-2H3,(H,15,16)