3-[(2-ethylphenyl)sulfanylmethyl]-5-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-4-carboxylic acid

Systemtic Name: 3-[(2-ethylphenyl)sulfanylmethyl]-5-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-4-carboxylic acid Openeye Name: 3-[(2-ethylphenyl)sulfanylmethyl]-5-(tetrahydrofuran-2-ylmethylcarbamoyl)isoxazole-4-carboxylic acid CAS Name: 3-[[(2-ethylphenyl)thio]methyl]-5-[oxo-(2-oxolanylmethylamino)methyl]-4-isoxazolecarboxylic acid IUPAC Name: 3-[(2-ethylphenyl)sulfanylmethyl]-5-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-4-carboxylic acid Traditional Name: 3-[[(2-ethylphenyl)thio]methyl]-5-(tetrahydrofurfurylcarbamoyl)isoxazole-4-carboxylic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1SCC2=NOC(=C2C(=O)O)C(=O)NCC3CCCO3

Isomeric SMILES

CCC1=CC=CC=C1SCC2=NOC(=C2C(=O)O)C(=O)NCC3CCCO3

InChI

InChI=1S/C19H22N2O5S/c1-2-12-6-3-4-8-15(12)27-11-14-16(19(23)24)17(26-21-14)18(22)20-10-13-7-5-9-25-13/h3-4,6,8,13H,2,5,7,9-11H2,1H3,(H,20,22)(H,23,24)