ethanedioic acid; 2-(6-methoxy-3-phenyl-quinolin-2-yl)sulfanyl-N,N-dimethyl-ethanamine

Systemtic Name: ethanedioic acid; 2-(6-methoxy-3-phenyl-quinolin-2-yl)sulfanyl-N,N-dimethyl-ethanamine Openeye Name: 2-[(6-methoxy-3-phenyl-2-quinolyl)sulfanyl]-N,N-dimethyl-ethanamine; oxalic acid CAS Name: 2-[(6-methoxy-3-phenyl-2-quinolinyl)thio]-N,N-dimethylethanamine; oxalic acid IUPAC Name: 2-(6-methoxy-3-phenylquinolin-2-yl)sulfanyl-N,N-dimethylethanamine; oxalic acid Traditional Name: 2-[(6-methoxy-3-phenyl-2-quinolyl)thio]ethyl-dimethyl-amine; oxalic acid Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=C(C=C2C=C(C=CC2=N1)OC)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCSC1=C(C=C2C=C(C=CC2=N1)OC)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22N2OS.C2H2O4/c1-22(2)11-12-24-20-18(15-7-5-4-6-8-15)14-16-13-17(23-3)9-10-19(16)21-20;3-1(4)2(5)6/h4-10,13-14H,11-12H2,1-3H3;(H,3,4)(H,5,6)