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

Systemtic Name: N-[[5-(2-azanyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-phenoxy-propanamide; (E)-but-2-enedioic acid Openeye Name: N-[[5-(2-aminothiazol-4-yl)-2-thienyl]methyl]-2-phenoxy-propanamide; fumaric acid CAS Name: N-[[5-(2-amino-4-thiazolyl)-2-thiophenyl]methyl]-2-phenoxypropanamide; (E)-2-butenedioic acid IUPAC Name: N-[[5-(2-amino-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-phenoxypropanamide; (E)-but-2-enedioic acid Traditional Name: N-[[5-(2-aminothiazol-4-yl)-2-thienyl]methyl]-2-phenoxy-propionamide; fumaric acid Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(S1)C2=CSC(=N2)N)OC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C(=O)NCC1=CC=C(S1)C2=CSC(=N2)N)OC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H17N3O2S2.C4H4O4/c1-11(22-12-5-3-2-4-6-12)16(21)19-9-13-7-8-15(24-13)14-10-23-17(18)20-14;5-3(6)1-2-4(7)8/h2-8,10-11H,9H2,1H3,(H2,18,20)(H,19,21);1-2H,(H,5,6)(H,7,8)/b;2-1+