(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-methoxy-4-methylsulfanyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O5S/c1-12-7-17-14(9-20(22)26-19(17)8-13(12)2)11-25-21(23)16-6-5-15(27-4)10-18(16)24-3/h5-10H,11H2,1-4H3