ethyl 2-[[6-hexyl-3-(2-methyl-1,3-thiazol-4-yl)-2-oxidanylidene-3,4-dihydrochromen-7-yl]oxy]ethanoate

Systemtic Name: ethyl 2-[[6-hexyl-3-(2-methyl-1,3-thiazol-4-yl)-2-oxidanylidene-3,4-dihydrochromen-7-yl]oxy]ethanoate Openeye Name: ethyl 2-[6-hexyl-3-(2-methylthiazol-4-yl)-2-oxo-chroman-7-yl]oxyacetate CAS Name: 2-[[6-hexyl-3-(2-methyl-4-thiazolyl)-2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-hexyl-3-(2-methyl-1,3-thiazol-4-yl)-2-oxo-3,4-dihydrochromen-7-yl]oxy]acetate Traditional Name: 2-[6-hexyl-2-keto-3-(2-methylthiazol-4-yl)chroman-7-yl]oxyacetic acid ethyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)CC(C(=O)O2)C3=CSC(=N3)C)OCC(=O)OCC

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)CC(C(=O)O2)C3=CSC(=N3)C)OCC(=O)OCC

InChI

InChI=1S/C23H29NO5S/c1-4-6-7-8-9-16-10-17-11-18(19-14-30-15(3)24-19)23(26)29-21(17)12-20(16)28-13-22(25)27-5-2/h10,12,14,18H,4-9,11,13H2,1-3H3