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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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