3-(5-thiocyanato-2,3-dihydroindol-1-yl)propanoic acid

Systemtic Name: 3-(5-thiocyanato-2,3-dihydroindol-1-yl)propanoic acid Openeye Name: 3-(5-thiocyanatoindolin-1-yl)propanoic acid CAS Name: 3-(5-thiocyanato-2,3-dihydroindol-1-yl)propanoic acid IUPAC Name: 3-(5-thiocyanato-2,3-dihydroindol-1-yl)propanoic acid Traditional Name: 3-(5-thiocyanatoindolin-1-yl)propionic acid Formula: C12H12N2O2S MolecularWeight: 248.30088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)SC#N)CCC(=O)O

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)SC#N)CCC(=O)O

InChI

InChI=1S/C12H12N2O2S/c13-8-17-10-1-2-11-9(7-10)3-5-14(11)6-4-12(15)16/h1-2,7H,3-6H2,(H,15,16)