N-(5-chloranyl-2-cyano-phenyl)-2-(thiophen-2-ylmethylamino)ethanamide; ethanedioic acid

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-(thiophen-2-ylmethylamino)ethanamide; ethanedioic acid Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-(2-thienylmethylamino)acetamide; oxalic acid CAS Name: N-(5-chloro-2-cyanophenyl)-2-(thiophen-2-ylmethylamino)acetamide; oxalic acid IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-(thiophen-2-ylmethylamino)acetamide; oxalic acid Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-(2-thenylamino)acetamide; oxalic acid Formula: C16H14ClN3O5S MolecularWeight: 395.81746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CNCC(=O)NC2=C(C=CC(=C2)Cl)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CSC(=C1)CNCC(=O)NC2=C(C=CC(=C2)Cl)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H12ClN3OS.C2H2O4/c15-11-4-3-10(7-16)13(6-11)18-14(19)9-17-8-12-2-1-5-20-12;3-1(4)2(5)6/h1-6,17H,8-9H2,(H,18,19);(H,3,4)(H,5,6)