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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2SC3=CC=CC=C3.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2SC3=CC=CC=C3.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

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