ethanedioic acid; [2-[6-(ethylamino)hexylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone

Systemtic Name: ethanedioic acid; [2-[6-(ethylamino)hexylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone Openeye Name: [2-[6-(ethylamino)hexylsulfanyl]-6-isopropyl-3-pyridyl]-(2-thienyl)methanone; oxalic acid CAS Name: [2-[6-(ethylamino)hexylthio]-6-propan-2-yl-3-pyridinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [2-[6-(ethylamino)hexylsulfanyl]-6-propan-2-ylpyridin-3-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [2-[6-(ethylamino)hexylthio]-6-isopropyl-3-pyridyl]-(2-thienyl)methanone; oxalic acid Formula: C23H32N2O5S2 MolecularWeight: 480.64058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNCCCCCCSC1=C(C=CC(=N1)C(C)C)C(=O)C2=CC=CS2.C(=O)(C(=O)O)O

Isomeric SMILES

CCNCCCCCCSC1=C(C=CC(=N1)C(C)C)C(=O)C2=CC=CS2.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H30N2OS2.C2H2O4/c1-4-22-13-7-5-6-8-14-26-21-17(11-12-18(23-21)16(2)3)20(24)19-10-9-15-25-19;3-1(4)2(5)6/h9-12,15-16,22H,4-8,13-14H2,1-3H3;(H,3,4)(H,5,6)