ethanedioic acid; 2-[3-(2-methoxyphenyl)-6-methyl-quinolin-2-yl]sulfanyl-N,N-dimethyl-ethanamine

Systemtic Name: ethanedioic acid; 2-[3-(2-methoxyphenyl)-6-methyl-quinolin-2-yl]sulfanyl-N,N-dimethyl-ethanamine Openeye Name: 2-[[3-(2-methoxyphenyl)-6-methyl-2-quinolyl]sulfanyl]-N,N-dimethyl-ethanamine; oxalic acid CAS Name: 2-[[3-(2-methoxyphenyl)-6-methyl-2-quinolinyl]thio]-N,N-dimethylethanamine; oxalic acid IUPAC Name: 2-[3-(2-methoxyphenyl)-6-methylquinolin-2-yl]sulfanyl-N,N-dimethylethanamine; oxalic acid Traditional Name: 2-[[3-(2-methoxyphenyl)-6-methyl-2-quinolyl]thio]ethyl-dimethyl-amine; oxalic acid Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)SCCN(C)C)C3=CC=CC=C3OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)SCCN(C)C)C3=CC=CC=C3OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H24N2OS.C2H2O4/c1-15-9-10-19-16(13-15)14-18(17-7-5-6-8-20(17)24-4)21(22-19)25-12-11-23(2)3;3-1(4)2(5)6/h5-10,13-14H,11-12H2,1-4H3;(H,3,4)(H,5,6)