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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: (7-methoxy-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-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-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-methoxy-chromen-4-yl)methyl ester Formula: C21H20O6S MolecularWeight: 400.4449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C21H20O6S/c1-12-8-17(13(2)28-12)18(22)6-7-20(23)26-11-14-9-21(24)27-19-10-15(25-3)4-5-16(14)19/h4-5,8-10H,6-7,11H2,1-3H3