N-[[5-(2-azanyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-phenoxy-ethanamide; (E)-but-2-enedioic acid

Systemtic Name: N-[[5-(2-azanyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-phenoxy-ethanamide; (E)-but-2-enedioic acid Openeye Name: N-[[5-(2-aminothiazol-4-yl)-2-thienyl]methyl]-2-phenoxy-acetamide; fumaric acid CAS Name: N-[[5-(2-amino-4-thiazolyl)-2-thiophenyl]methyl]-2-phenoxyacetamide; (E)-2-butenedioic acid IUPAC Name: N-[[5-(2-amino-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-phenoxyacetamide; (E)-but-2-enedioic acid Traditional Name: N-[[5-(2-aminothiazol-4-yl)-2-thienyl]methyl]-2-phenoxy-acetamide; fumaric acid Formula: C20H19N3O6S2 MolecularWeight: 461.51136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NCC2=CC=C(S2)C3=CSC(=N3)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NCC2=CC=C(S2)C3=CSC(=N3)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H15N3O2S2.C4H4O4/c17-16-19-13(10-22-16)14-7-6-12(23-14)8-18-15(20)9-21-11-4-2-1-3-5-11;5-3(6)1-2-4(7)8/h1-7,10H,8-9H2,(H2,17,19)(H,18,20);1-2H,(H,5,6)(H,7,8)/b;2-1+