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

Systemtic Name: 4-chloranyl-5-fluoranyl-2-[3-(2-hydroxyethylamino)-1-thiophen-3-yl-propoxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-chloro-5-fluoro-2-[3-(2-hydroxyethylamino)-1-(3-thienyl)propoxy]benzonitrile; oxalic acid CAS Name: 4-chloro-5-fluoro-2-[3-(2-hydroxyethylamino)-1-(3-thiophenyl)propoxy]benzonitrile; oxalic acid IUPAC Name: 4-chloro-5-fluoro-2-[3-(2-hydroxyethylamino)-1-thiophen-3-ylpropoxy]benzonitrile; oxalic acid Traditional Name: 4-chloro-5-fluoro-2-[3-(2-hydroxyethylamino)-1-(3-thienyl)propoxy]benzonitrile; oxalic acid Formula: C18H18ClFN2O6S MolecularWeight: 444.861723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClFN2O2S.C2H2O4/c17-13-8-16(12(9-19)7-14(13)18)22-15(1-3-20-4-5-21)11-2-6-23-10-11;3-1(4)2(5)6/h2,6-8,10,15,20-21H,1,3-5H2;(H,3,4)(H,5,6)