4-(5-chloranyl-1-benzothiophen-2-yl)-1,2,3,6-tetrahydropyridine; ethanedioic acid

Systemtic Name: 4-(5-chloranyl-1-benzothiophen-2-yl)-1,2,3,6-tetrahydropyridine; ethanedioic acid Openeye Name: 4-(5-chlorobenzothiophen-2-yl)-1,2,3,6-tetrahydropyridine; oxalic acid CAS Name: 4-(5-chloro-1-benzothiophen-2-yl)-1,2,3,6-tetrahydropyridine; oxalic acid IUPAC Name: 4-(5-chloro-1-benzothiophen-2-yl)-1,2,3,6-tetrahydropyridine; oxalic acid Traditional Name: 4-(5-chlorobenzothiophen-2-yl)-1,2,3,6-tetrahydropyridine; oxalic acid Formula: C15H14ClNO4S MolecularWeight: 339.79396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC=C1C2=CC3=C(S2)C=CC(=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CNCC=C1C2=CC3=C(S2)C=CC(=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H12ClNS.C2H2O4/c14-11-1-2-12-10(7-11)8-13(16-12)9-3-5-15-6-4-9;3-1(4)2(5)6/h1-3,7-8,15H,4-6H2;(H,3,4)(H,5,6)