3-[(4-fluorophenyl)sulfanylmethyl]-5-(prop-2-enylcarbamoyl)-1,2-oxazole-4-carboxylic acid

Systemtic Name: 3-[(4-fluorophenyl)sulfanylmethyl]-5-(prop-2-enylcarbamoyl)-1,2-oxazole-4-carboxylic acid Openeye Name: 5-(allylcarbamoyl)-3-[(4-fluorophenyl)sulfanylmethyl]isoxazole-4-carboxylic acid CAS Name: 3-[[(4-fluorophenyl)thio]methyl]-5-[oxo-(prop-2-enylamino)methyl]-4-isoxazolecarboxylic acid IUPAC Name: 3-[(4-fluorophenyl)sulfanylmethyl]-5-(prop-2-enylcarbamoyl)-1,2-oxazole-4-carboxylic acid Traditional Name: 5-(allylcarbamoyl)-3-[[(4-fluorophenyl)thio]methyl]isoxazole-4-carboxylic acid Formula: C15H13FN2O4S MolecularWeight: 336.338123

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

C=CCNC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C15H13FN2O4S/c1-2-7-17-14(19)13-12(15(20)21)11(18-22-13)8-23-10-5-3-9(16)4-6-10/h2-6H,1,7-8H2,(H,17,19)(H,20,21)