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

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(methylsulfinylmethyl)benzoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 3-(methylsulfinylmethyl)benzoate CAS Name: 3-(methylsulfinylmethyl)benzoic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 3-(methylsulfinylmethyl)benzoate Traditional Name: 3-(methylsulfinylmethyl)benzoic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H19ClO5S MolecularWeight: 418.89056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CC=C3)CS(=O)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CC=C3)CS(=O)C)Cl

InChI

InChI=1S/C21H19ClO5S/c1-3-14-8-19-17(10-18(14)22)16(9-20(23)27-19)11-26-21(24)15-6-4-5-13(7-15)12-28(2)25/h4-10H,3,11-12H2,1-2H3