(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-chlorophenyl)sulfanylethanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-chlorophenyl)sulfanylethanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-(4-chlorophenyl)sulfanylacetate CAS Name: 2-[(4-chlorophenyl)thio]acetic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(4-chlorophenyl)sulfanylacetate Traditional Name: 2-[(4-chlorophenyl)thio]acetic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C20H17ClO4S MolecularWeight: 388.86458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=CC=C(C=C3)Cl)C

InChI

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