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

Systemtic Name: 3-[(4-propan-2-ylphenyl)sulfanylmethyl]-5-(prop-2-enylcarbamoyl)-1,2-oxazole-4-carboxylic acid Openeye Name: 5-(allylcarbamoyl)-3-[(4-isopropylphenyl)sulfanylmethyl]isoxazole-4-carboxylic acid CAS Name: 5-[oxo-(prop-2-enylamino)methyl]-3-[[(4-propan-2-ylphenyl)thio]methyl]-4-isoxazolecarboxylic acid IUPAC Name: 3-[(4-propan-2-ylphenyl)sulfanylmethyl]-5-(prop-2-enylcarbamoyl)-1,2-oxazole-4-carboxylic acid Traditional Name: 5-(allylcarbamoyl)-3-[(p-cumenylthio)methyl]isoxazole-4-carboxylic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S/c1-4-9-19-17(21)16-15(18(22)23)14(20-24-16)10-25-13-7-5-12(6-8-13)11(2)3/h4-8,11H,1,9-10H2,2-3H3,(H,19,21)(H,22,23)