(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H19ClO5S MolecularWeight: 430.90126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClO5S/c1-13-9-20-17(11-18(13)23)15(10-22(26)28-20)12-27-21(25)8-7-19(24)14-3-5-16(29-2)6-4-14/h3-6,9-11H,7-8,12H2,1-2H3