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

Systemtic Name: 5-(propan-2-ylcarbamoyl)-3-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,2-oxazole-4-carboxylic acid Openeye Name: 5-(isopropylcarbamoyl)-3-[(4-isopropylphenyl)sulfanylmethyl]isoxazole-4-carboxylic acid CAS Name: 5-[oxo-(propan-2-ylamino)methyl]-3-[[(4-propan-2-ylphenyl)thio]methyl]-4-isoxazolecarboxylic acid IUPAC Name: 5-(propan-2-ylcarbamoyl)-3-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,2-oxazole-4-carboxylic acid Traditional Name: 5-(isopropylcarbamoyl)-3-[(p-cumenylthio)methyl]isoxazole-4-carboxylic acid Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-10(2)12-5-7-13(8-6-12)25-9-14-15(18(22)23)16(24-20-14)17(21)19-11(3)4/h5-8,10-11H,9H2,1-4H3,(H,19,21)(H,22,23)