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

Systemtic Name: 5-(butylcarbamoyl)-3-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,2-oxazole-4-carboxylic acid Openeye Name: 5-(butylcarbamoyl)-3-[(4-isopropylphenyl)sulfanylmethyl]isoxazole-4-carboxylic acid CAS Name: 5-[butylamino(oxo)methyl]-3-[[(4-propan-2-ylphenyl)thio]methyl]-4-isoxazolecarboxylic acid IUPAC Name: 5-(butylcarbamoyl)-3-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,2-oxazole-4-carboxylic acid Traditional Name: 5-(butylcarbamoyl)-3-[(p-cumenylthio)methyl]isoxazole-4-carboxylic acid Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4S/c1-4-5-10-20-18(22)17-16(19(23)24)15(21-25-17)11-26-14-8-6-13(7-9-14)12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,22)(H,23,24)