(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H20O6S MolecularWeight: 400.4449

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=C(C=C(C=C3)SC)OC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=C(C=C(C=C3)SC)OC)O

InChI

InChI=1S/C21H20O6S/c1-4-12-7-16-13(8-20(23)27-19(16)10-17(12)22)11-26-21(24)15-6-5-14(28-3)9-18(15)25-2/h5-10,22H,4,11H2,1-3H3