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

Systemtic Name: ethanedioic acid; [2-[6-(phenethylamino)hexylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone Openeye Name: [6-isopropyl-2-[6-(phenethylamino)hexylsulfanyl]-3-pyridyl]-(2-thienyl)methanone; oxalic acid CAS Name: oxalic acid; [2-[6-(phenethylamino)hexylthio]-6-propan-2-yl-3-pyridinyl]-thiophen-2-ylmethanone IUPAC Name: oxalic acid; [2-[6-(phenethylamino)hexylsulfanyl]-6-propan-2-ylpyridin-3-yl]-thiophen-2-ylmethanone Traditional Name: [6-isopropyl-2-[6-(phenethylamino)hexylthio]-3-pyridyl]-(2-thienyl)methanone; oxalic acid Formula: C29H36N2O5S2 MolecularWeight: 556.73654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCNCCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCNCCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H34N2OS2.C2H2O4/c1-21(2)24-15-14-23(26(30)25-13-10-20-31-25)27(29-24)32-19-9-4-3-8-17-28-18-16-22-11-6-5-7-12-22;3-1(4)2(5)6/h5-7,10-15,20-21,28H,3-4,8-9,16-19H2,1-2H3;(H,3,4)(H,5,6)