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

Systemtic Name: ethyl (2S)-2-[3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl]oxypropanoate Openeye Name: ethyl (2S)-2-[3-(4-methylthiazol-2-yl)-4-oxo-6-propyl-chromen-7-yl]oxypropanoate CAS Name: (2S)-2-[[3-(4-methyl-2-thiazolyl)-4-oxo-6-propyl-1-benzopyran-7-yl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-6-propylchromen-7-yl]oxypropanoate Traditional Name: (2S)-2-[4-keto-3-(4-methylthiazol-2-yl)-6-propyl-chromen-7-yl]oxypropionic acid ethyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)OC(C)C(=O)OCC

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)O[C@@H](C)C(=O)OCC

InChI

InChI=1S/C21H23NO5S/c1-5-7-14-8-15-18(9-17(14)27-13(4)21(24)25-6-2)26-10-16(19(15)23)20-22-12(3)11-28-20/h8-11,13H,5-7H2,1-4H3/t13-/m0/s1