(Z)-but-2-enedioate; 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methyl-methanamine

Systemtic Name: (Z)-but-2-enedioate; 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methyl-methanamine Openeye Name: (Z)-but-2-enedioate; 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methyl-methanamine CAS Name: (Z)-2-butenedioate; 1-[2-[(3,4-dimethoxyphenyl)thio]phenyl]-N-methylmethanamine IUPAC Name: (Z)-but-2-enedioate; 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine Traditional Name: [2-[(3,4-dimethoxyphenyl)thio]benzyl]-methyl-amine maleate Formula: C20H21NO6S-2 MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=CC=C1SC2=CC(=C(C=C2)OC)OC.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CNCC1=CC=CC=C1SC2=CC(=C(C=C2)OC)OC.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C16H19NO2S.C4H4O4/c1-17-11-12-6-4-5-7-16(12)20-13-8-9-14(18-2)15(10-13)19-3;5-3(6)1-2-4(7)8/h4-10,17H,11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-