2-[4-(oxolan-2-ylmethylcarbamothioylamino)phenyl]ethanoic acid

Systemtic Name: 2-[4-(oxolan-2-ylmethylcarbamothioylamino)phenyl]ethanoic acid Openeye Name: 2-[4-(tetrahydrofuran-2-ylmethylcarbamothioylamino)phenyl]acetic acid CAS Name: 2-[4-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-(oxolan-2-ylmethylcarbamothioylamino)phenyl]acetic acid Traditional Name: 2-[4-(tetrahydrofurfurylthiocarbamoylamino)phenyl]acetic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NC2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

C1CC(OC1)CNC(=S)NC2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C14H18N2O3S/c17-13(18)8-10-3-5-11(6-4-10)16-14(20)15-9-12-2-1-7-19-12/h3-6,12H,1-2,7-9H2,(H,17,18)(H2,15,16,20)