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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=C(C=C(C=C3)SC)OC

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C21H20O5S/c1-4-5-13-10-20(22)26-19-11-14(6-8-16(13)19)25-21(23)17-9-7-15(27-3)12-18(17)24-2/h6-12H,4-5H2,1-3H3