(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-methylphenyl)sulfanylethanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C)C

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C)C

InChI

InChI=1S/C21H20O4S/c1-13-6-4-5-7-19(13)26-12-21(23)24-11-16-10-20(22)25-18-9-15(3)14(2)8-17(16)18/h4-10H,11-12H2,1-3H3