(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(4-chlorophenyl)sulfanylethanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(4-chlorophenyl)sulfanylethanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-(4-chlorophenyl)sulfanylacetate CAS Name: 2-[(4-chlorophenyl)thio]acetic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-(4-chlorophenyl)sulfanylacetate Traditional Name: 2-[(4-chlorophenyl)thio]acetic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H21ClO4S MolecularWeight: 416.91774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CSC3=CC=C(C=C3)Cl)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CSC3=CC=C(C=C3)Cl)C(C)C

InChI

InChI=1S/C22H21ClO4S/c1-13(2)18-10-19-15(9-21(24)27-20(19)8-14(18)3)11-26-22(25)12-28-17-6-4-16(23)5-7-17/h4-10,13H,11-12H2,1-3H3