(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C20H18O5S MolecularWeight: 370.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)C

InChI

InChI=1S/C20H18O5S/c1-12-3-5-16(7-13(12)2)26-11-20(23)24-10-14-8-19(22)25-18-9-15(21)4-6-17(14)18/h3-9,21H,10-11H2,1-2H3