2-[3-(2-azanylethylamino)-1-thiophen-3-yl-propoxy]-4-chloranyl-5-fluoranyl-benzenecarbonitrile; ethanedioic acid

Systemtic Name: 2-[3-(2-azanylethylamino)-1-thiophen-3-yl-propoxy]-4-chloranyl-5-fluoranyl-benzenecarbonitrile; ethanedioic acid Openeye Name: 2-[3-(2-aminoethylamino)-1-(3-thienyl)propoxy]-4-chloro-5-fluoro-benzonitrile; oxalic acid CAS Name: 2-[3-(2-aminoethylamino)-1-(3-thiophenyl)propoxy]-4-chloro-5-fluorobenzonitrile; oxalic acid IUPAC Name: 2-[3-(2-aminoethylamino)-1-thiophen-3-ylpropoxy]-4-chloro-5-fluorobenzonitrile; oxalic acid Traditional Name: 2-[3-(2-aminoethylamino)-1-(3-thienyl)propoxy]-4-chloro-5-fluoro-benzonitrile; oxalic acid Formula: C18H19ClFN3O5S MolecularWeight: 443.876963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1C(CCNCCN)OC2=CC(=C(C=C2C#N)F)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CSC=C1C(CCNCCN)OC2=CC(=C(C=C2C#N)F)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H17ClFN3OS.C2H2O4/c17-13-8-16(12(9-20)7-14(13)18)22-15(1-4-21-5-3-19)11-2-6-23-10-11;3-1(4)2(5)6/h2,6-8,10,15,21H,1,3-5,19H2;(H,3,4)(H,5,6)