ethyl (2R)-2-[6-butyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-chromen-7-yl]oxypropanoate

Systemtic Name: ethyl (2R)-2-[6-butyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-chromen-7-yl]oxypropanoate Openeye Name: ethyl (2R)-2-[6-butyl-3-(4-methylthiazol-2-yl)-4-oxo-chromen-7-yl]oxypropanoate CAS Name: (2R)-2-[[6-butyl-3-(4-methyl-2-thiazolyl)-4-oxo-1-benzopyran-7-yl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[6-butyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl]oxypropanoate Traditional Name: (2R)-2-[6-butyl-4-keto-3-(4-methylthiazol-2-yl)chromen-7-yl]oxypropionic acid ethyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)OC(C)C(=O)OCC

Isomeric SMILES

CCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)O[C@H](C)C(=O)OCC

InChI

InChI=1S/C22H25NO5S/c1-5-7-8-15-9-16-19(10-18(15)28-14(4)22(25)26-6-2)27-11-17(20(16)24)21-23-13(3)12-29-21/h9-12,14H,5-8H2,1-4H3/t14-/m1/s1