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

Systemtic Name: 5-(butylcarbamoyl)-3-[(4-chlorophenyl)sulfanylmethyl]-1,2-oxazole-4-carboxylic acid Openeye Name: 5-(butylcarbamoyl)-3-[(4-chlorophenyl)sulfanylmethyl]isoxazole-4-carboxylic acid CAS Name: 5-[butylamino(oxo)methyl]-3-[[(4-chlorophenyl)thio]methyl]-4-isoxazolecarboxylic acid IUPAC Name: 5-(butylcarbamoyl)-3-[(4-chlorophenyl)sulfanylmethyl]-1,2-oxazole-4-carboxylic acid Traditional Name: 5-(butylcarbamoyl)-3-[[(4-chlorophenyl)thio]methyl]isoxazole-4-carboxylic acid Formula: C16H17ClN2O4S MolecularWeight: 368.83518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O4S/c1-2-3-8-18-15(20)14-13(16(21)22)12(19-23-14)9-24-11-6-4-10(17)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,18,20)(H,21,22)