4-[(2,5-diethoxyphenyl)sulfanylmethyl]-5-methyl-furan-2-carboxylic acid

Systemtic Name: 4-[(2,5-diethoxyphenyl)sulfanylmethyl]-5-methyl-furan-2-carboxylic acid Openeye Name: 4-[(2,5-diethoxyphenyl)sulfanylmethyl]-5-methyl-furan-2-carboxylic acid CAS Name: 4-[[(2,5-diethoxyphenyl)thio]methyl]-5-methyl-2-furancarboxylic acid IUPAC Name: 4-[(2,5-diethoxyphenyl)sulfanylmethyl]-5-methylfuran-2-carboxylic acid Traditional Name: 4-[[(2,5-diethoxyphenyl)thio]methyl]-5-methyl-2-furoic acid Formula: C17H20O5S MolecularWeight: 336.4027

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)SCC2=C(OC(=C2)C(=O)O)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)SCC2=C(OC(=C2)C(=O)O)C

InChI

InChI=1S/C17H20O5S/c1-4-20-13-6-7-14(21-5-2)16(9-13)23-10-12-8-15(17(18)19)22-11(12)3/h6-9H,4-5,10H2,1-3H3,(H,18,19)