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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)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-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H19ClO4S MolecularWeight: 402.89116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C)C

InChI

InChI=1S/C21H19ClO4S/c1-12-4-5-16(6-13(12)2)27-11-21(24)25-10-15-8-20(23)26-19-7-14(3)18(22)9-17(15)19/h4-9H,10-11H2,1-3H3