ethanedioic acid; 1-ethyl-4-phenylsulfanyl-pyrrolidin-3-ol

Systemtic Name: ethanedioic acid; 1-ethyl-4-phenylsulfanyl-pyrrolidin-3-ol Openeye Name: 1-ethyl-4-phenylsulfanyl-pyrrolidin-3-ol; oxalic acid CAS Name: 1-ethyl-4-(phenylthio)-3-pyrrolidinol; oxalic acid IUPAC Name: 1-ethyl-4-phenylsulfanylpyrrolidin-3-ol; oxalic acid Traditional Name: 1-ethyl-4-(phenylthio)pyrrolidin-3-ol; oxalic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(C(C1)SC2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CC(C(C1)SC2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H17NOS.C2H2O4/c1-2-13-8-11(14)12(9-13)15-10-6-4-3-5-7-10;3-1(4)2(5)6/h3-7,11-12,14H,2,8-9H2,1H3;(H,3,4)(H,5,6)