N,N-diethyl-4-(2-phenyl-1,3-dithian-2-yl)but-2-yn-1-amine; ethanedioic acid

Systemtic Name: N,N-diethyl-4-(2-phenyl-1,3-dithian-2-yl)but-2-yn-1-amine; ethanedioic acid Openeye Name: N,N-diethyl-4-(2-phenyl-1,3-dithian-2-yl)but-2-yn-1-amine; oxalic acid CAS Name: N,N-diethyl-4-(2-phenyl-1,3-dithian-2-yl)-2-butyn-1-amine; oxalic acid IUPAC Name: N,N-diethyl-4-(2-phenyl-1,3-dithian-2-yl)but-2-yn-1-amine; oxalic acid Traditional Name: diethyl-[4-(2-phenyl-1,3-dithian-2-yl)but-2-ynyl]amine; oxalic acid Formula: C20H27NO4S2 MolecularWeight: 409.56268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCC1(SCCCS1)C2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CC#CCC1(SCCCS1)C2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25NS2.C2H2O4/c1-3-19(4-2)14-9-8-13-18(20-15-10-16-21-18)17-11-6-5-7-12-17;3-1(4)2(5)6/h5-7,11-12H,3-4,10,13-16H2,1-2H3;(H,3,4)(H,5,6)