(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C20H18O6S MolecularWeight: 386.41832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=CS3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=CS3)O

InChI

InChI=1S/C20H18O6S/c1-2-12-8-14-13(9-20(24)26-17(14)10-16(12)22)11-25-19(23)6-5-15(21)18-4-3-7-27-18/h3-4,7-10,22H,2,5-6,11H2,1H3