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

Systemtic Name: ethyl 2-(3-methylbutanoylamino)-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-(3-methylbutanoylamino)-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-methylbutanoylamino)-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(isovalerylamino)-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CC(C)C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C17H20N2O3S/c1-4-22-16(21)15-14(12-8-6-5-7-9-12)19-17(23-15)18-13(20)10-11(2)3/h5-9,11H,4,10H2,1-3H3,(H,18,19,20)