1-[3-(dimethylamino)propyl]-1-thiophen-2-yl-3H-2-benzofuran-5-carbonitrile; ethanedioic acid

Systemtic Name: 1-[3-(dimethylamino)propyl]-1-thiophen-2-yl-3H-2-benzofuran-5-carbonitrile; ethanedioic acid Openeye Name: 1-[3-(dimethylamino)propyl]-1-(2-thienyl)-3H-isobenzofuran-5-carbonitrile; oxalic acid CAS Name: 1-[3-(dimethylamino)propyl]-1-thiophen-2-yl-3H-isobenzofuran-5-carbonitrile; oxalic acid IUPAC Name: 1-[3-(dimethylamino)propyl]-1-thiophen-2-yl-3H-2-benzofuran-5-carbonitrile; oxalic acid Traditional Name: 1-[3-(dimethylamino)propyl]-1-(2-thienyl)phthalan-5-carbonitrile; oxalic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20N2OS.C2H2O4/c1-20(2)9-4-8-18(17-5-3-10-22-17)16-7-6-14(12-19)11-15(16)13-21-18;3-1(4)2(5)6/h3,5-7,10-11H,4,8-9,13H2,1-2H3;(H,3,4)(H,5,6)