(E)-but-2-enedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenylsulfanyl-1H-indole

Systemtic Name: (E)-but-2-enedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenylsulfanyl-1H-indole Openeye Name: fumaric acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenylsulfanyl-1H-indole CAS Name: (E)-2-butenedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(phenylthio)-1H-indole IUPAC Name: (E)-but-2-enedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenylsulfanyl-1H-indole Traditional Name: fumaric acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(phenylthio)-1H-indole Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)SC4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)SC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H20N2S.C4H4O4/c1-22-11-9-15(10-12-22)19-14-21-20-8-7-17(13-18(19)20)23-16-5-3-2-4-6-16;5-3(6)1-2-4(7)8/h2-9,13-14,21H,10-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+