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

Systemtic Name: 3-[(2,5-dimethylphenyl)sulfanylmethyl]-5-(prop-2-enylcarbamoyl)-1,2-oxazole-4-carboxylic acid Openeye Name: 5-(allylcarbamoyl)-3-[(2,5-dimethylphenyl)sulfanylmethyl]isoxazole-4-carboxylic acid CAS Name: 3-[[(2,5-dimethylphenyl)thio]methyl]-5-[oxo-(prop-2-enylamino)methyl]-4-isoxazolecarboxylic acid IUPAC Name: 3-[(2,5-dimethylphenyl)sulfanylmethyl]-5-(prop-2-enylcarbamoyl)-1,2-oxazole-4-carboxylic acid Traditional Name: 5-(allylcarbamoyl)-3-[[(2,5-dimethylphenyl)thio]methyl]isoxazole-4-carboxylic acid Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC2=NOC(=C2C(=O)O)C(=O)NCC=C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC2=NOC(=C2C(=O)O)C(=O)NCC=C

InChI

InChI=1S/C17H18N2O4S/c1-4-7-18-16(20)15-14(17(21)22)12(19-23-15)9-24-13-8-10(2)5-6-11(13)3/h4-6,8H,1,7,9H2,2-3H3,(H,18,20)(H,21,22)