4-[(2-carboxylatophenyl)sulfanylmethyl]-2,5-dimethyl-furan-3-carboxylate

Systemtic Name: 4-[(2-carboxylatophenyl)sulfanylmethyl]-2,5-dimethyl-furan-3-carboxylate Openeye Name: 4-[(2-carboxylatophenyl)sulfanylmethyl]-2,5-dimethyl-furan-3-carboxylate CAS Name: 4-[[(2-carboxylatophenyl)thio]methyl]-2,5-dimethyl-3-furancarboxylate IUPAC Name: 4-[(2-carboxylatophenyl)sulfanylmethyl]-2,5-dimethylfuran-3-carboxylate Traditional Name: 4-[[(2-carboxylatophenyl)thio]methyl]-2,5-dimethyl-3-furoate Formula: C15H12O5S-2 MolecularWeight: 304.31778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)C)C(=O)[O-])CSC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(O1)C)C(=O)[O-])CSC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C15H14O5S/c1-8-11(13(15(18)19)9(2)20-8)7-21-12-6-4-3-5-10(12)14(16)17/h3-6H,7H2,1-2H3,(H,16,17)(H,18,19)/p-2