(Z)-but-2-enedioic acid; N-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine

Systemtic Name: (Z)-but-2-enedioic acid; N-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine Openeye Name: maleic acid; N-methyl-1-[2-(1-naphthylsulfanyl)phenyl]methanamine CAS Name: (Z)-2-butenedioic acid; N-methyl-1-[2-(1-naphthalenylthio)phenyl]methanamine IUPAC Name: (Z)-but-2-enedioic acid; N-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine Traditional Name: maleic acid; methyl-[2-(1-naphthylthio)benzyl]amine Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=CC=C1SC2=CC=CC3=CC=CC=C32.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCC1=CC=CC=C1SC2=CC=CC3=CC=CC=C32.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C18H17NS.C4H4O4/c1-19-13-15-8-3-5-11-17(15)20-18-12-6-9-14-7-2-4-10-16(14)18;5-3(6)1-2-4(7)8/h2-12,19H,13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-