N,N-dimethyl-2-(3-thiophen-3-ylquinolin-2-yl)sulfanyl-ethanamine; ethanedioic acid

Systemtic Name: N,N-dimethyl-2-(3-thiophen-3-ylquinolin-2-yl)sulfanyl-ethanamine; ethanedioic acid Openeye Name: N,N-dimethyl-2-[[3-(3-thienyl)-2-quinolyl]sulfanyl]ethanamine; oxalic acid CAS Name: N,N-dimethyl-2-[[3-(3-thiophenyl)-2-quinolinyl]thio]ethanamine; oxalic acid IUPAC Name: N,N-dimethyl-2-(3-thiophen-3-ylquinolin-2-yl)sulfanylethanamine; oxalic acid Traditional Name: dimethyl-[2-[[3-(3-thienyl)-2-quinolyl]thio]ethyl]amine; oxalic acid Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=NC2=CC=CC=C2C=C1C3=CSC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCSC1=NC2=CC=CC=C2C=C1C3=CSC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18N2S2.C2H2O4/c1-19(2)8-10-21-17-15(14-7-9-20-12-14)11-13-5-3-4-6-16(13)18-17;3-1(4)2(5)6/h3-7,9,11-12H,8,10H2,1-2H3;(H,3,4)(H,5,6)