methyl 4-ethyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 4-ethyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-ethyl-2-(3-methylbutanoylamino)thiazole-5-carboxylate CAS Name: 4-ethyl-2-[(3-methyl-1-oxobutyl)amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-carboxylate Traditional Name: 4-ethyl-2-(isovalerylamino)thiazole-5-carboxylic acid methyl ester Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)NC(=O)CC(C)C)C(=O)OC

Isomeric SMILES

CCC1=C(SC(=N1)NC(=O)CC(C)C)C(=O)OC

InChI

InChI=1S/C12H18N2O3S/c1-5-8-10(11(16)17-4)18-12(13-8)14-9(15)6-7(2)3/h7H,5-6H2,1-4H3,(H,13,14,15)