ethanedioic acid; 3-(4-methylphenyl)sulfanyl-1-(phenylmethyl)pyrrolidine

Systemtic Name: ethanedioic acid; 3-(4-methylphenyl)sulfanyl-1-(phenylmethyl)pyrrolidine Openeye Name: 1-benzyl-3-(p-tolylsulfanyl)pyrrolidine; oxalic acid CAS Name: 3-[(4-methylphenyl)thio]-1-(phenylmethyl)pyrrolidine; oxalic acid IUPAC Name: 1-benzyl-3-(4-methylphenyl)sulfanylpyrrolidine; oxalic acid Traditional Name: 1-benzyl-3-(p-tolylthio)pyrrolidine; oxalic acid Formula: C20H23NO4S MolecularWeight: 373.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2CCN(C2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2CCN(C2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21NS.C2H2O4/c1-15-7-9-17(10-8-15)20-18-11-12-19(14-18)13-16-5-3-2-4-6-16;3-1(4)2(5)6/h2-10,18H,11-14H2,1H3;(H,3,4)(H,5,6)