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

Systemtic Name: 5-(oxolan-2-ylmethylcarbamoyl)-3-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,2-oxazole-4-carboxylic acid Openeye Name: 3-[(4-isopropylphenyl)sulfanylmethyl]-5-(tetrahydrofuran-2-ylmethylcarbamoyl)isoxazole-4-carboxylic acid CAS Name: 5-[oxo-(2-oxolanylmethylamino)methyl]-3-[[(4-propan-2-ylphenyl)thio]methyl]-4-isoxazolecarboxylic acid IUPAC Name: 5-(oxolan-2-ylmethylcarbamoyl)-3-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,2-oxazole-4-carboxylic acid Traditional Name: 3-[(p-cumenylthio)methyl]-5-(tetrahydrofurfurylcarbamoyl)isoxazole-4-carboxylic acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCC3CCCO3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCC3CCCO3

InChI

InChI=1S/C20H24N2O5S/c1-12(2)13-5-7-15(8-6-13)28-11-16-17(20(24)25)18(27-22-16)19(23)21-10-14-4-3-9-26-14/h5-8,12,14H,3-4,9-11H2,1-2H3,(H,21,23)(H,24,25)