(Z)-but-2-enedioic acid; ethyl 4-[(2-methylsulfanylphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: (Z)-but-2-enedioic acid; ethyl 4-[(2-methylsulfanylphenyl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2-methylsulfanylphenyl)methyl]piperazine-1-carboxylate; maleic acid CAS Name: (Z)-2-butenedioic acid; 4-[[2-(methylthio)phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: (Z)-but-2-enedioic acid; ethyl 4-[(2-methylsulfanylphenyl)methyl]piperazine-1-carboxylate Traditional Name: maleic acid; 4-[2-(methylthio)benzyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H26N2O6S MolecularWeight: 410.48454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC=CC=C2SC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC=CC=C2SC.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C15H22N2O2S.C4H4O4/c1-3-19-15(18)17-10-8-16(9-11-17)12-13-6-4-5-7-14(13)20-2;5-3(6)1-2-4(7)8/h4-7H,3,8-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-