7-(3,3-dimethyl-2-oxidanylidene-butoxy)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]chromen-2-one

Systemtic Name: 7-(3,3-dimethyl-2-oxidanylidene-butoxy)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]chromen-2-one Openeye Name: 7-(3,3-dimethyl-2-oxo-butoxy)-3-[2-(4-methoxyphenyl)thiazol-4-yl]chromen-2-one CAS Name: 7-(3,3-dimethyl-2-oxobutoxy)-3-[2-(4-methoxyphenyl)-4-thiazolyl]-1-benzopyran-2-one IUPAC Name: 7-(3,3-dimethyl-2-oxobutoxy)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]chromen-2-one Traditional Name: 7-(2-keto-3,3-dimethyl-butoxy)-3-[2-(4-methoxyphenyl)thiazol-4-yl]coumarin Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CSC(=N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)C(=O)COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CSC(=N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H23NO5S/c1-25(2,3)22(27)13-30-18-10-7-16-11-19(24(28)31-21(16)12-18)20-14-32-23(26-20)15-5-8-17(29-4)9-6-15/h5-12,14H,13H2,1-4H3