(E)-but-2-enedioic acid; 2-(6,7-dihydro-1-benzothiophen-5-yl)-5-methyl-pyridin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; 2-(6,7-dihydro-1-benzothiophen-5-yl)-5-methyl-pyridin-4-amine Openeye Name: 2-(6,7-dihydrobenzothiophen-5-yl)-5-methyl-pyridin-4-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(6,7-dihydro-1-benzothiophen-5-yl)-5-methyl-4-pyridinamine IUPAC Name: (E)-but-2-enedioic acid; 2-(6,7-dihydro-1-benzothiophen-5-yl)-5-methylpyridin-4-amine Traditional Name: [2-(6,7-dihydrobenzothiophen-5-yl)-5-methyl-4-pyridyl]amine; fumaric acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1N)C2=CC3=C(CC2)SC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1N)C2=CC3=C(CC2)SC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H14N2S.C4H4O4/c1-9-8-16-13(7-12(9)15)10-2-3-14-11(6-10)4-5-17-14;5-3(6)1-2-4(7)8/h4-8H,2-3H2,1H3,(H2,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1+