(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(methylsulfinylmethyl)benzoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(methylsulfinylmethyl)benzoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-(methylsulfinylmethyl)benzoate CAS Name: 3-(methylsulfinylmethyl)benzoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 3-(methylsulfinylmethyl)benzoate Traditional Name: 3-(methylsulfinylmethyl)benzoic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C21H20O5S MolecularWeight: 384.4455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O5S/c1-13-7-18-17(10-20(22)26-19(18)8-14(13)2)11-25-21(23)16-6-4-5-15(9-16)12-27(3)24/h4-10H,11-12H2,1-3H3