ethyl 5-[2-(4-bromanyl-2-chloranyl-phenoxy)butanoylamino]-3-methyl-1,2-thiazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(4-bromanyl-2-chloranyl-phenoxy)butanoylamino]-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: ethyl 5-[2-(4-bromo-2-chloro-phenoxy)butanoylamino]-3-methyl-isothiazole-4-carboxylate CAS Name: 5-[[2-(4-bromo-2-chlorophenoxy)-1-oxobutyl]amino]-3-methyl-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-bromo-2-chlorophenoxy)butanoylamino]-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-[2-(4-bromo-2-chloro-phenoxy)butanoylamino]-3-methyl-isothiazole-4-carboxylic acid ethyl ester Formula: C17H18BrClN2O4S MolecularWeight: 461.75782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=NS1)C)C(=O)OCC)OC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CCC(C(=O)NC1=C(C(=NS1)C)C(=O)OCC)OC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C17H18BrClN2O4S/c1-4-12(25-13-7-6-10(18)8-11(13)19)15(22)20-16-14(9(3)21-26-16)17(23)24-5-2/h6-8,12H,4-5H2,1-3H3,(H,20,22)