[2-[6-(dimethylamino)hexan-2-ylsulfanyl]pyridin-3-yl]-thiophen-2-yl-methanone; ethanedioic acid

Systemtic Name: [2-[6-(dimethylamino)hexan-2-ylsulfanyl]pyridin-3-yl]-thiophen-2-yl-methanone; ethanedioic acid Openeye Name: [2-[5-(dimethylamino)-1-methyl-pentyl]sulfanyl-3-pyridyl]-(2-thienyl)methanone; oxalic acid CAS Name: [2-[6-(dimethylamino)hexan-2-ylthio]-3-pyridinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [2-[6-(dimethylamino)hexan-2-ylsulfanyl]pyridin-3-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [2-[[5-(dimethylamino)-1-methyl-pentyl]thio]-3-pyridyl]-(2-thienyl)methanone; oxalic acid Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN(C)C)SC1=C(C=CC=N1)C(=O)C2=CC=CS2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CCCCN(C)C)SC1=C(C=CC=N1)C(=O)C2=CC=CS2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H24N2OS2.C2H2O4/c1-14(8-4-5-12-20(2)3)23-18-15(9-6-11-19-18)17(21)16-10-7-13-22-16;3-1(4)2(5)6/h6-7,9-11,13-14H,4-5,8,12H2,1-3H3;(H,3,4)(H,5,6)