3-methylbutyl 4-methyl-2-[(4-oxidanylidenechromen-2-yl)carbonylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: 3-methylbutyl 4-methyl-2-[(4-oxidanylidenechromen-2-yl)carbonylamino]-1,3-thiazole-5-carboxylate Openeye Name: isopentyl 4-methyl-2-[(4-oxochromene-2-carbonyl)amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[oxo-(4-oxo-1-benzopyran-2-yl)methyl]amino]-5-thiazolecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-methyl-2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-ketochromene-2-carbonyl)amino]-4-methyl-thiazole-5-carboxylic acid isoamyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=O)C3=CC=CC=C3O2)C(=O)OCCC(C)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=O)C3=CC=CC=C3O2)C(=O)OCCC(C)C

InChI

InChI=1S/C20H20N2O5S/c1-11(2)8-9-26-19(25)17-12(3)21-20(28-17)22-18(24)16-10-14(23)13-6-4-5-7-15(13)27-16/h4-7,10-11H,8-9H2,1-3H3,(H,21,22,24)