(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-methylsulfanylbenzoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-methylsulfanylbenzoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C19H16O5S MolecularWeight: 356.39234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C19H16O5S/c1-22-14-5-8-16-13(9-18(20)24-17(16)10-14)11-23-19(21)12-3-6-15(25-2)7-4-12/h3-10H,11H2,1-2H3