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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S/c1-11-5-6-12(2)15(8-11)27-10-14-16(19(23)24)17(26-21-14)18(22)20-9-13-4-3-7-25-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,20,22)(H,23,24)