(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H21ClO4S MolecularWeight: 416.91774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCCSC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCCSC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H21ClO4S/c1-14-10-19-16(12-22(25)27-20(19)11-15(14)2)13-26-21(24)4-3-9-28-18-7-5-17(23)6-8-18/h5-8,10-12H,3-4,9,13H2,1-2H3