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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-methylphenyl)sulfanylethanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H17ClO4S MolecularWeight: 388.86458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClO4S/c1-12-5-3-4-6-18(12)26-11-20(23)24-10-14-8-19(22)25-17-7-13(2)16(21)9-15(14)17/h3-9H,10-11H2,1-2H3