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

Systemtic Name: ethyl 3-methyl-5-(2-phenylbutanoylamino)-1,2-thiazole-4-carboxylate Openeye Name: ethyl 3-methyl-5-(2-phenylbutanoylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-[(1-oxo-2-phenylbutyl)amino]-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-(2-phenylbutanoylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(2-phenylbutanoylamino)isothiazole-4-carboxylic acid ethyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(C(=NS2)C)C(=O)OCC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=C(C(=NS2)C)C(=O)OCC

InChI

InChI=1S/C17H20N2O3S/c1-4-13(12-9-7-6-8-10-12)15(20)18-16-14(11(3)19-23-16)17(21)22-5-2/h6-10,13H,4-5H2,1-3H3,(H,18,20)