(Z)-but-2-enedioate; N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine

Systemtic Name: (Z)-but-2-enedioate; N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine Openeye Name: (Z)-but-2-enedioate; N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine CAS Name: (Z)-2-butenedioate; N-ethyl-N-[[2-(phenylthio)phenyl]methyl]ethanamine IUPAC Name: (Z)-but-2-enedioate; N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine Traditional Name: diethyl-[2-(phenylthio)benzyl]amine maleate Formula: C21H23NO4S-2 MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1SC2=CC=CC=C2.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1SC2=CC=CC=C2.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C17H21NS.C4H4O4/c1-3-18(4-2)14-15-10-8-9-13-17(15)19-16-11-6-5-7-12-16;5-3(6)1-2-4(7)8/h5-13H,3-4,14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-