(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C)C

InChI

InChI=1S/C21H20O5S/c1-12-8-16-15(10-21(24)26-18(16)9-13(12)2)11-25-20(23)7-5-17(22)19-6-4-14(3)27-19/h4,6,8-10H,5,7,11H2,1-3H3