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

Systemtic Name: 3-[(4-methoxyphenyl)sulfanylmethyl]-5-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-4-carboxylic acid Openeye Name: 3-[(4-methoxyphenyl)sulfanylmethyl]-5-(tetrahydrofuran-2-ylmethylcarbamoyl)isoxazole-4-carboxylic acid CAS Name: 3-[[(4-methoxyphenyl)thio]methyl]-5-[oxo-(2-oxolanylmethylamino)methyl]-4-isoxazolecarboxylic acid IUPAC Name: 3-[(4-methoxyphenyl)sulfanylmethyl]-5-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-4-carboxylic acid Traditional Name: 3-[[(4-methoxyphenyl)thio]methyl]-5-(tetrahydrofurfurylcarbamoyl)isoxazole-4-carboxylic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCC3CCCO3

Isomeric SMILES

COC1=CC=C(C=C1)SCC2=NOC(=C2C(=O)O)C(=O)NCC3CCCO3

InChI

InChI=1S/C18H20N2O6S/c1-24-11-4-6-13(7-5-11)27-10-14-15(18(22)23)16(26-20-14)17(21)19-9-12-3-2-8-25-12/h4-7,12H,2-3,8-10H2,1H3,(H,19,21)(H,22,23)