(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(methylsulfinylmethyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)CS(=O)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)CS(=O)C

InChI

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