ethyl 2-[6-hexyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxidanylidene-chromen-7-yl]oxyethanoate

Systemtic Name: ethyl 2-[6-hexyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxidanylidene-chromen-7-yl]oxyethanoate Openeye Name: ethyl 2-[6-hexyl-3-(2-methylthiazol-4-yl)-4-oxo-chromen-7-yl]oxyacetate CAS Name: 2-[[6-hexyl-3-(2-methyl-4-thiazolyl)-4-oxo-1-benzopyran-7-yl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-hexyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetate Traditional Name: 2-[6-hexyl-4-keto-3-(2-methylthiazol-4-yl)chromen-7-yl]oxyacetic acid ethyl ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CSC(=N3)C)OCC(=O)OCC

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CSC(=N3)C)OCC(=O)OCC

InChI

InChI=1S/C23H27NO5S/c1-4-6-7-8-9-16-10-17-21(11-20(16)29-13-22(25)27-5-2)28-12-18(23(17)26)19-14-30-15(3)24-19/h10-12,14H,4-9,13H2,1-3H3