(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C20H18O5S MolecularWeight: 370.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=CS3)C

InChI

InChI=1S/C20H18O5S/c1-12-8-15-14(10-20(23)25-17(15)9-13(12)2)11-24-19(22)6-5-16(21)18-4-3-7-26-18/h3-4,7-10H,5-6,11H2,1-2H3