(Z)-but-2-enedioate; 1-[phenyl(phenylsulfanyl)methyl]pyrrolidine

Systemtic Name: (Z)-but-2-enedioate; 1-[phenyl(phenylsulfanyl)methyl]pyrrolidine Openeye Name: (Z)-but-2-enedioate; 1-[phenyl(phenylsulfanyl)methyl]pyrrolidine CAS Name: (Z)-2-butenedioate; 1-[phenyl-(phenylthio)methyl]pyrrolidine IUPAC Name: (Z)-but-2-enedioate; 1-[phenyl(phenylsulfanyl)methyl]pyrrolidine Traditional Name: 1-[phenyl-(phenylthio)methyl]pyrrolidine maleate Formula: C21H21NO4S-2 MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(C2=CC=CC=C2)SC3=CC=CC=C3.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CCN(C1)C(C2=CC=CC=C2)SC3=CC=CC=C3.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C17H19NS.C4H4O4/c1-3-9-15(10-4-1)17(18-13-7-8-14-18)19-16-11-5-2-6-12-16;5-3(6)1-2-4(7)8/h1-6,9-12,17H,7-8,13-14H2;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-