(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CSC(=N3)NCCC(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CSC(=N3)NCCC(C)C

InChI

InChI=1S/C21H24N2O4S/c1-4-14-5-6-16-15(10-19(24)27-18(16)9-14)11-26-20(25)17-12-28-21(23-17)22-8-7-13(2)3/h5-6,9-10,12-13H,4,7-8,11H2,1-3H3,(H,22,23)