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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)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=C(C=C(C=C3)SC)OC

Isomeric SMILES

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

InChI

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