3-(naphthalen-1-ylsulfanylmethyl)-5-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-4-carboxylic acid

Systemtic Name: 3-(naphthalen-1-ylsulfanylmethyl)-5-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-4-carboxylic acid Openeye Name: 3-(1-naphthylsulfanylmethyl)-5-(tetrahydrofuran-2-ylmethylcarbamoyl)isoxazole-4-carboxylic acid CAS Name: 3-[(1-naphthalenylthio)methyl]-5-[oxo-(2-oxolanylmethylamino)methyl]-4-isoxazolecarboxylic acid IUPAC Name: 3-(naphthalen-1-ylsulfanylmethyl)-5-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-4-carboxylic acid Traditional Name: 3-[(1-naphthylthio)methyl]-5-(tetrahydrofurfurylcarbamoyl)isoxazole-4-carboxylic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=C(C(=NO2)CSC3=CC=CC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=C(C(=NO2)CSC3=CC=CC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C21H20N2O5S/c24-20(22-11-14-7-4-10-27-14)19-18(21(25)26)16(23-28-19)12-29-17-9-3-6-13-5-1-2-8-15(13)17/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,22,24)(H,25,26)