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

Systemtic Name: 3-[(3-methylphenyl)sulfanylmethyl]-5-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-4-carboxylic acid Openeye Name: 3-(m-tolylsulfanylmethyl)-5-(tetrahydrofuran-2-ylmethylcarbamoyl)isoxazole-4-carboxylic acid CAS Name: 3-[[(3-methylphenyl)thio]methyl]-5-[oxo-(2-oxolanylmethylamino)methyl]-4-isoxazolecarboxylic acid IUPAC Name: 3-[(3-methylphenyl)sulfanylmethyl]-5-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-4-carboxylic acid Traditional Name: 3-[(m-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=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCC3CCCO3

Isomeric SMILES

CC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCC3CCCO3

InChI

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