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

Systemtic Name: ethyl 5-[2-(3-chloranylphenoxy)butanoylamino]-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: ethyl 5-[2-(3-chlorophenoxy)butanoylamino]-3-methyl-isothiazole-4-carboxylate CAS Name: 5-[[2-(3-chlorophenoxy)-1-oxobutyl]amino]-3-methyl-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-chlorophenoxy)butanoylamino]-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-[2-(3-chlorophenoxy)butanoylamino]-3-methyl-isothiazole-4-carboxylic acid ethyl ester Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O4S/c1-4-13(24-12-8-6-7-11(18)9-12)15(21)19-16-14(10(3)20-25-16)17(22)23-5-2/h6-9,13H,4-5H2,1-3H3,(H,19,21)