(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CSC(=N3)NCCC(C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CSC(=N3)NCCC(C)C)C

InChI

InChI=1S/C21H24N2O4S/c1-12(2)5-6-22-21-23-17(11-28-21)20(25)26-10-15-9-19(24)27-18-8-14(4)13(3)7-16(15)18/h7-9,11-12H,5-6,10H2,1-4H3,(H,22,23)