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

Systemtic Name: ethyl 5-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: ethyl 5-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-3-methyl-isothiazole-4-carboxylate CAS Name: 5-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]-3-methyl-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-3-methyl-isothiazole-4-carboxylic acid ethyl ester Formula: C18H21ClN2O4S MolecularWeight: 396.88834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SN=C1C)NC(=O)CCCOC2=C(C=C(C=C2)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SN=C1C)NC(=O)CCCOC2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C18H21ClN2O4S/c1-4-24-18(23)16-12(3)21-26-17(16)20-15(22)6-5-9-25-14-8-7-13(19)10-11(14)2/h7-8,10H,4-6,9H2,1-3H3,(H,20,22)