2-prop-2-enylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: 2-prop-2-enylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-allylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carboxylate CAS Name: 2-(prop-2-enylthio)-5,6,7,8-tetrahydroquinoline-3-carboxylate IUPAC Name: 2-prop-2-enylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: 2-(allylthio)-5,6,7,8-tetrahydroquinoline-3-carboxylate Formula: C13H14NO2S- MolecularWeight: 248.32076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(CCCC2)C=C1C(=O)[O-]

Isomeric SMILES

C=CCSC1=NC2=C(CCCC2)C=C1C(=O)[O-]

InChI

InChI=1S/C13H15NO2S/c1-2-7-17-12-10(13(15)16)8-9-5-3-4-6-11(9)14-12/h2,8H,1,3-7H2,(H,15,16)/p-1