(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-butyric acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C22H22O5S MolecularWeight: 398.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=C(SC(=C3)C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=C(SC(=C3)C)C)C

InChI

InChI=1S/C22H22O5S/c1-12-5-6-17-16(10-21(25)27-22(17)14(12)3)11-26-20(24)8-7-19(23)18-9-13(2)28-15(18)4/h5-6,9-10H,7-8,11H2,1-4H3