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

Systemtic Name: 3-[(3,4-dimethylphenyl)sulfanylmethyl]-5-(2-methoxyethylcarbamoyl)-1,2-oxazole-4-carboxylic acid Openeye Name: 3-[(3,4-dimethylphenyl)sulfanylmethyl]-5-(2-methoxyethylcarbamoyl)isoxazole-4-carboxylic acid CAS Name: 3-[[(3,4-dimethylphenyl)thio]methyl]-5-[(2-methoxyethylamino)-oxomethyl]-4-isoxazolecarboxylic acid IUPAC Name: 3-[(3,4-dimethylphenyl)sulfanylmethyl]-5-(2-methoxyethylcarbamoyl)-1,2-oxazole-4-carboxylic acid Traditional Name: 3-[[(3,4-dimethylphenyl)thio]methyl]-5-(2-methoxyethylcarbamoyl)isoxazole-4-carboxylic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5S/c1-10-4-5-12(8-11(10)2)25-9-13-14(17(21)22)15(24-19-13)16(20)18-6-7-23-3/h4-5,8H,6-7,9H2,1-3H3,(H,18,20)(H,21,22)