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

Systemtic Name: [6-butyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxidanylidene-chromen-7-yl] 2-azanyl-3-methyl-butanoate Openeye Name: [6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-chromen-7-yl] 2-amino-3-methyl-butanoate CAS Name: 2-amino-3-methylbutanoic acid [6-butyl-3-(2-methyl-4-thiazolyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [6-butyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl] 2-amino-3-methylbutanoate Traditional Name: 2-amino-3-methyl-butyric acid [6-butyl-4-keto-3-(2-methylthiazol-4-yl)chromen-7-yl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CSC(=N3)C)OC(=O)C(C(C)C)N

Isomeric SMILES

CCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CSC(=N3)C)OC(=O)C(C(C)C)N

InChI

InChI=1S/C22H26N2O4S/c1-5-6-7-14-8-15-19(9-18(14)28-22(26)20(23)12(2)3)27-10-16(21(15)25)17-11-29-13(4)24-17/h8-12,20H,5-7,23H2,1-4H3