(Z)-but-2-enedioate; N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine

Systemtic Name: (Z)-but-2-enedioate; N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine Openeye Name: (Z)-but-2-enedioate; N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine CAS Name: (Z)-2-butenedioate; N,N-dimethyl-2-[2-(phenylthio)phenyl]ethanamine IUPAC Name: (Z)-but-2-enedioate; N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine Traditional Name: dimethyl-[2-[2-(phenylthio)phenyl]ethyl]amine maleate Formula: C20H21NO4S-2 MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC=CC=C1SC2=CC=CC=C2.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN(C)CCC1=CC=CC=C1SC2=CC=CC=C2.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C16H19NS.C4H4O4/c1-17(2)13-12-14-8-6-7-11-16(14)18-15-9-4-3-5-10-15;5-3(6)1-2-4(7)8/h3-11H,12-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-