(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)O

InChI

InChI=1S/C21H20O5S/c1-12-4-5-13(2)18(8-12)27-11-20(24)25-10-15-9-19(23)26-21-14(3)17(22)7-6-16(15)21/h4-9,22H,10-11H2,1-3H3