(Z)-but-2-enedioic acid; 1-(2-phenylsulfanylphenyl)propan-2-amine

Systemtic Name: (Z)-but-2-enedioic acid; 1-(2-phenylsulfanylphenyl)propan-2-amine Openeye Name: maleic acid; 1-(2-phenylsulfanylphenyl)propan-2-amine CAS Name: (Z)-2-butenedioic acid; 1-[2-(phenylthio)phenyl]-2-propanamine IUPAC Name: (Z)-but-2-enedioic acid; 1-(2-phenylsulfanylphenyl)propan-2-amine Traditional Name: maleic acid; [1-methyl-2-[2-(phenylthio)phenyl]ethyl]amine Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1SC2=CC=CC=C2)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CC1=CC=CC=C1SC2=CC=CC=C2)N.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C15H17NS.C4H4O4/c1-12(16)11-13-7-5-6-10-15(13)17-14-8-3-2-4-9-14;5-3(6)1-2-4(7)8/h2-10,12H,11,16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-