ethanedioic acid; 1-(2-phenylsulfanylethyl)pyrrolidine

Systemtic Name: ethanedioic acid; 1-(2-phenylsulfanylethyl)pyrrolidine Openeye Name: oxalic acid; 1-(2-phenylsulfanylethyl)pyrrolidine CAS Name: oxalic acid; 1-[2-(phenylthio)ethyl]pyrrolidine IUPAC Name: oxalic acid; 1-(2-phenylsulfanylethyl)pyrrolidine Traditional Name: oxalic acid; 1-[2-(phenylthio)ethyl]pyrrolidine Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCSC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CCSC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H17NS.C2H2O4/c1-2-6-12(7-3-1)14-11-10-13-8-4-5-9-13;3-1(4)2(5)6/h1-3,6-7H,4-5,8-11H2;(H,3,4)(H,5,6)