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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H22O5S MolecularWeight: 398.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCC(=O)C3=CC=CS3)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCC(=O)C3=CC=CS3)C(C)C

InChI

InChI=1S/C22H22O5S/c1-13(2)16-11-17-15(10-22(25)27-19(17)9-14(16)3)12-26-21(24)7-6-18(23)20-5-4-8-28-20/h4-5,8-11,13H,6-7,12H2,1-3H3