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

Systemtic Name: 3-[(2-methylphenyl)sulfanylmethyl]-5-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-4-carboxylic acid Openeye Name: 3-(o-tolylsulfanylmethyl)-5-(tetrahydrofuran-2-ylmethylcarbamoyl)isoxazole-4-carboxylic acid CAS Name: 3-[[(2-methylphenyl)thio]methyl]-5-[oxo-(2-oxolanylmethylamino)methyl]-4-isoxazolecarboxylic acid IUPAC Name: 3-[(2-methylphenyl)sulfanylmethyl]-5-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-4-carboxylic acid Traditional Name: 3-[(o-tolylthio)methyl]-5-(tetrahydrofurfurylcarbamoyl)isoxazole-4-carboxylic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC2=NOC(=C2C(=O)O)C(=O)NCC3CCCO3

Isomeric SMILES

CC1=CC=CC=C1SCC2=NOC(=C2C(=O)O)C(=O)NCC3CCCO3

InChI

InChI=1S/C18H20N2O5S/c1-11-5-2-3-7-14(11)26-10-13-15(18(22)23)16(25-20-13)17(21)19-9-12-6-4-8-24-12/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,19,21)(H,22,23)