(E)-but-2-enedioic acid; N-hept-4-yn-2-yl-2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-1,3-thiazole-5-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-hept-4-yn-2-yl-2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-1,3-thiazole-5-carboxamide Openeye Name: fumaric acid; 2-[2-hydroxy-3-(isopropylamino)propoxy]-N-(1-methylhex-3-ynyl)thiazole-5-carboxamide CAS Name: (E)-2-butenedioic acid; N-hept-4-yn-2-yl-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5-thiazolecarboxamide IUPAC Name: (E)-but-2-enedioic acid; N-hept-4-yn-2-yl-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1,3-thiazole-5-carboxamide Traditional Name: fumaric acid; 2-[2-hydroxy-3-(isopropylamino)propoxy]-N-(1-methylhex-3-ynyl)thiazole-5-carboxamide Formula: C21H31N3O7S MolecularWeight: 469.55174

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCC(C)NC(=O)C1=CN=C(S1)OCC(CNC(C)C)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC#CCC(C)NC(=O)C1=CN=C(S1)OCC(CNC(C)C)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H27N3O3S.C4H4O4/c1-5-6-7-8-13(4)20-16(22)15-10-19-17(24-15)23-11-14(21)9-18-12(2)3;5-3(6)1-2-4(7)8/h10,12-14,18,21H,5,8-9,11H2,1-4H3,(H,20,22);1-2H,(H,5,6)(H,7,8)/b;2-1+