[2-[8-(dimethylamino)octylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone; ethanedioic acid

Systemtic Name: [2-[8-(dimethylamino)octylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone; ethanedioic acid Openeye Name: [2-[8-(dimethylamino)octylsulfanyl]-6-isopropyl-3-pyridyl]-(2-thienyl)methanone; oxalic acid CAS Name: [2-[8-(dimethylamino)octylthio]-6-propan-2-yl-3-pyridinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [2-[8-(dimethylamino)octylsulfanyl]-6-propan-2-ylpyridin-3-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [2-[8-(dimethylamino)octylthio]-6-isopropyl-3-pyridyl]-(2-thienyl)methanone; oxalic acid Formula: C25H36N2O5S2 MolecularWeight: 508.69374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCCCN(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCCCN(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H34N2OS2.C2H2O4/c1-18(2)20-14-13-19(22(26)21-12-11-17-27-21)23(24-20)28-16-10-8-6-5-7-9-15-25(3)4;3-1(4)2(5)6/h11-14,17-18H,5-10,15-16H2,1-4H3;(H,3,4)(H,5,6)