ethanedioic acid; 3-methylsulfanyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-isoindol-1-one

Systemtic Name: ethanedioic acid; 3-methylsulfanyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-isoindol-1-one Openeye Name: 3-methylsulfanyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]isoindolin-1-one; oxalic acid CAS Name: 3-(methylthio)-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-isoindol-1-one; oxalic acid IUPAC Name: 3-methylsulfanyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-isoindol-1-one; oxalic acid Traditional Name: 3-(methylthio)-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]isoindolin-1-one; oxalic acid Formula: C25H28N2O5S MolecularWeight: 468.56522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1C2=CC=CC=C2C(=O)N1CCCN3CCC(=CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1C2=CC=CC=C2C(=O)N1CCCN3CCC(=CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H26N2OS.C2H2O4/c1-27-23-21-11-6-5-10-20(21)22(26)25(23)15-7-14-24-16-12-19(13-17-24)18-8-3-2-4-9-18;3-1(4)2(5)6/h2-6,8-12,23H,7,13-17H2,1H3;(H,3,4)(H,5,6)