(E)-but-2-enedioic acid; 2-(4H-thiochromeno[4,3-b]pyrrol-1-yl)propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 2-(4H-thiochromeno[4,3-b]pyrrol-1-yl)propan-2-amine Openeye Name: fumaric acid; 2-(4H-thiochromeno[4,3-b]pyrrol-1-yl)propan-2-amine CAS Name: (E)-2-butenedioic acid; 2-(4H-thiochromeno[4,3-b]pyrrol-1-yl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(4H-thiochromeno[4,3-b]pyrrol-1-yl)propan-2-amine Traditional Name: fumaric acid; [1-methyl-1-(4H-thiochromeno[4,3-b]pyrrol-1-yl)ethyl]amine Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(N)N1C=CC2=C1C3=CC=CC=C3SC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(N)N1C=CC2=C1C3=CC=CC=C3SC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H16N2S.C4H4O4/c1-14(2,15)16-8-7-10-9-17-12-6-4-3-5-11(12)13(10)16;5-3(6)1-2-4(7)8/h3-8H,9,15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+