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

Systemtic Name: ethyl 2-[6-butyl-2-methyl-4-oxidanylidene-3-(1,3-thiazol-2-yl)chromen-7-yl]oxypropanoate Openeye Name: ethyl 2-(6-butyl-2-methyl-4-oxo-3-thiazol-2-yl-chromen-7-yl)oxypropanoate CAS Name: 2-[[6-butyl-2-methyl-4-oxo-3-(2-thiazolyl)-1-benzopyran-7-yl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[6-butyl-2-methyl-4-oxo-3-(1,3-thiazol-2-yl)chromen-7-yl]oxypropanoate Traditional Name: 2-(6-butyl-4-keto-2-methyl-3-thiazol-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(=C(O2)C)C3=NC=CS3)OC(C)C(=O)OCC

Isomeric SMILES

CCCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=NC=CS3)OC(C)C(=O)OCC

InChI

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