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

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-5-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-4-carboxylic acid Openeye Name: 3-[(4-chlorophenyl)sulfanylmethyl]-5-(tetrahydrofuran-2-ylmethylcarbamoyl)isoxazole-4-carboxylic acid CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-5-[oxo-(2-oxolanylmethylamino)methyl]-4-isoxazolecarboxylic acid IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-5-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-4-carboxylic acid Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-5-(tetrahydrofurfurylcarbamoyl)isoxazole-4-carboxylic acid Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=C(C(=NO2)CSC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=C(C(=NO2)CSC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C17H17ClN2O5S/c18-10-3-5-12(6-4-10)26-9-13-14(17(22)23)15(25-20-13)16(21)19-8-11-2-1-7-24-11/h3-6,11H,1-2,7-9H2,(H,19,21)(H,22,23)