(E)-but-2-enedioic acid; 2-(1-methylpyrrolidin-3-yl)-4-(3-methylthiophen-2-yl)-1,3-thiazole

Systemtic Name: (E)-but-2-enedioic acid; 2-(1-methylpyrrolidin-3-yl)-4-(3-methylthiophen-2-yl)-1,3-thiazole Openeye Name: fumaric acid; 2-(1-methylpyrrolidin-3-yl)-4-(3-methyl-2-thienyl)thiazole CAS Name: (E)-2-butenedioic acid; 2-(1-methyl-3-pyrrolidinyl)-4-(3-methyl-2-thiophenyl)thiazole IUPAC Name: (E)-but-2-enedioic acid; 2-(1-methylpyrrolidin-3-yl)-4-(3-methylthiophen-2-yl)-1,3-thiazole Traditional Name: fumaric acid; 2-(1-methylpyrrolidin-3-yl)-4-(3-methyl-2-thienyl)thiazole Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=CSC(=N2)C3CCN(C3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C2=CSC(=N2)C3CCN(C3)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H16N2S2.C4H4O4/c1-9-4-6-16-12(9)11-8-17-13(14-11)10-3-5-15(2)7-10;5-3(6)1-2-4(7)8/h4,6,8,10H,3,5,7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+