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

Systemtic Name: 5-(butylcarbamoyl)-3-[(3,5-dimethylphenyl)sulfanylmethyl]-1,2-oxazole-4-carboxylic acid Openeye Name: 5-(butylcarbamoyl)-3-[(3,5-dimethylphenyl)sulfanylmethyl]isoxazole-4-carboxylic acid CAS Name: 5-[butylamino(oxo)methyl]-3-[[(3,5-dimethylphenyl)thio]methyl]-4-isoxazolecarboxylic acid IUPAC Name: 5-(butylcarbamoyl)-3-[(3,5-dimethylphenyl)sulfanylmethyl]-1,2-oxazole-4-carboxylic acid Traditional Name: 5-(butylcarbamoyl)-3-[[(3,5-dimethylphenyl)thio]methyl]isoxazole-4-carboxylic acid Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-4-5-6-19-17(21)16-15(18(22)23)14(20-24-16)10-25-13-8-11(2)7-12(3)9-13/h7-9H,4-6,10H2,1-3H3,(H,19,21)(H,22,23)