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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (7,8-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 (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-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-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C21H20O5S MolecularWeight: 384.4455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=C(S3)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=C(S3)C)C

InChI

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