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

Systemtic Name: 3-[(3-ethoxyphenyl)sulfanylmethyl]-5-(2-methoxyethylcarbamoyl)-1,2-oxazole-4-carboxylic acid Openeye Name: 3-[(3-ethoxyphenyl)sulfanylmethyl]-5-(2-methoxyethylcarbamoyl)isoxazole-4-carboxylic acid CAS Name: 3-[[(3-ethoxyphenyl)thio]methyl]-5-[(2-methoxyethylamino)-oxomethyl]-4-isoxazolecarboxylic acid IUPAC Name: 3-[(3-ethoxyphenyl)sulfanylmethyl]-5-(2-methoxyethylcarbamoyl)-1,2-oxazole-4-carboxylic acid Traditional Name: 5-(2-methoxyethylcarbamoyl)-3-[(m-phenetylthio)methyl]isoxazole-4-carboxylic acid Formula: C17H20N2O6S MolecularWeight: 380.4155

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCCOC

Isomeric SMILES

CCOC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCCOC

InChI

InChI=1S/C17H20N2O6S/c1-3-24-11-5-4-6-12(9-11)26-10-13-14(17(21)22)15(25-19-13)16(20)18-7-8-23-2/h4-6,9H,3,7-8,10H2,1-2H3,(H,18,20)(H,21,22)