3-[(4-chlorophenyl)sulfanylmethyl]-5-(2-methoxyethylcarbamoyl)-1,2-oxazole-4-carboxylic acid

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-5-(2-methoxyethylcarbamoyl)-1,2-oxazole-4-carboxylic acid Openeye Name: 3-[(4-chlorophenyl)sulfanylmethyl]-5-(2-methoxyethylcarbamoyl)isoxazole-4-carboxylic acid CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-5-[(2-methoxyethylamino)-oxomethyl]-4-isoxazolecarboxylic acid IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-5-(2-methoxyethylcarbamoyl)-1,2-oxazole-4-carboxylic acid Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-5-(2-methoxyethylcarbamoyl)isoxazole-4-carboxylic acid Formula: C15H15ClN2O5S MolecularWeight: 370.808

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

COCCNC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C15H15ClN2O5S/c1-22-7-6-17-14(19)13-12(15(20)21)11(18-23-13)8-24-10-4-2-9(16)3-5-10/h2-5H,6-8H2,1H3,(H,17,19)(H,20,21)