(E)-but-2-enedioic acid; 2-methyl-5-methylsulfanyl-N-[(1-propylpyrrolidin-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 2-methyl-5-methylsulfanyl-N-[(1-propylpyrrolidin-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: fumaric acid; 2-methyl-5-methylsulfanyl-N-[(1-propylpyrrolidin-2-yl)methyl]-2,3-dihydrobenzofuran-7-carboxamide CAS Name: (E)-2-butenedioic acid; 2-methyl-5-(methylthio)-N-[(1-propyl-2-pyrrolidinyl)methyl]-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: (E)-but-2-enedioic acid; 2-methyl-5-methylsulfanyl-N-[(1-propylpyrrolidin-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: fumaric acid; 2-methyl-5-(methylthio)-N-[(1-propylpyrrolidin-2-yl)methyl]coumaran-7-carboxamide Formula: C23H32N2O6S MolecularWeight: 464.57498

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCC1CNC(=O)C2=CC(=CC3=C2OC(C3)C)SC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCN1CCCC1CNC(=O)C2=CC(=CC3=C2OC(C3)C)SC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H28N2O2S.C4H4O4/c1-4-7-21-8-5-6-15(21)12-20-19(22)17-11-16(24-3)10-14-9-13(2)23-18(14)17;5-3(6)1-2-4(7)8/h10-11,13,15H,4-9,12H2,1-3H3,(H,20,22);1-2H,(H,5,6)(H,7,8)/b;2-1+