(E)-but-2-enedioic acid; N-methyl-2-naphthalen-2-ylsulfanyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]ethanamide

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-2-naphthalen-2-ylsulfanyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]ethanamide Openeye Name: fumaric acid; N-methyl-2-(2-naphthylsulfanyl)-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide CAS Name: (E)-2-butenedioic acid; N-methyl-2-(2-naphthalenylthio)-N-[(1S,2R)-2-(1-pyrrolidinyl)cyclohexyl]acetamide IUPAC Name: (E)-but-2-enedioic acid; N-methyl-2-naphthalen-2-ylsulfanyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide Traditional Name: fumaric acid; N-methyl-2-(2-naphthylthio)-N-[(1S,2R)-2-pyrrolidinocyclohexyl]acetamide Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1N2CCCC2)C(=O)CSC3=CC4=CC=CC=C4C=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN([C@H]1CCCC[C@H]1N2CCCC2)C(=O)CSC3=CC4=CC=CC=C4C=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H30N2OS.C4H4O4/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-27-20-13-12-18-8-2-3-9-19(18)16-20;5-3(6)1-2-4(7)8/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t21-,22+;/m0./s1