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

Systemtic Name: 3-[(3,4-dimethylphenyl)sulfanylmethyl]-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylic acid Openeye Name: 3-[(3,4-dimethylphenyl)sulfanylmethyl]-5-(isopropylcarbamoyl)isoxazole-4-carboxylic acid CAS Name: 3-[[(3,4-dimethylphenyl)thio]methyl]-5-[oxo-(propan-2-ylamino)methyl]-4-isoxazolecarboxylic acid IUPAC Name: 3-[(3,4-dimethylphenyl)sulfanylmethyl]-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylic acid Traditional Name: 3-[[(3,4-dimethylphenyl)thio]methyl]-5-(isopropylcarbamoyl)isoxazole-4-carboxylic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC2=NOC(=C2C(=O)O)C(=O)NC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC2=NOC(=C2C(=O)O)C(=O)NC(C)C)C

InChI

InChI=1S/C17H20N2O4S/c1-9(2)18-16(20)15-14(17(21)22)13(19-23-15)8-24-12-6-5-10(3)11(4)7-12/h5-7,9H,8H2,1-4H3,(H,18,20)(H,21,22)