ethyl 2-(4-chloranylphenoxy)carbothioyl-4-methyl-5-oxidanylidene-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 2-(4-chloranylphenoxy)carbothioyl-4-methyl-5-oxidanylidene-1,2-oxazole-3-carboxylate Openeye Name: ethyl 2-(4-chlorophenoxy)carbothioyl-4-methyl-5-oxo-isoxazole-3-carboxylate CAS Name: 2-[(4-chlorophenoxy)-sulfanylidenemethyl]-4-methyl-5-oxo-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorophenoxy)carbothioyl-4-methyl-5-oxo-1,2-oxazole-3-carboxylate Traditional Name: 2-(4-chlorophenoxy)carbothioyl-5-keto-4-methyl-3-isoxazoline-3-carboxylic acid ethyl ester Formula: C14H12ClNO5S MolecularWeight: 341.76678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)ON1C(=S)OC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C(=O)ON1C(=S)OC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C14H12ClNO5S/c1-3-19-13(18)11-8(2)12(17)21-16(11)14(22)20-10-6-4-9(15)5-7-10/h4-7H,3H2,1-2H3