5-tert-butyl-3-[2-[(1-ethoxy-1-oxidanylidene-pentan-2-yl)amino]propanoyl]-2H-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: 5-tert-butyl-3-[2-[(1-ethoxy-1-oxidanylidene-pentan-2-yl)amino]propanoyl]-2H-1,3,4-thiadiazole-2-carboxylate Openeye Name: 5-tert-butyl-3-[2-(1-ethoxycarbonylbutylamino)propanoyl]-2H-1,3,4-thiadiazole-2-carboxylate CAS Name: 5-tert-butyl-3-[2-[(1-ethoxy-1-oxopentan-2-yl)amino]-1-oxopropyl]-2H-1,3,4-thiadiazole-2-carboxylate IUPAC Name: 5-tert-butyl-3-[2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoyl]-2H-1,3,4-thiadiazole-2-carboxylate Traditional Name: 5-tert-butyl-3-[2-(1-carbethoxybutylamino)propanoyl]-2H-1,3,4-thiadiazole-2-carboxylate Formula: C17H28N3O5S- MolecularWeight: 386.48632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC)NC(C)C(=O)N1C(SC(=N1)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CCCC(C(=O)OCC)NC(C)C(=O)N1C(SC(=N1)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C17H29N3O5S/c1-7-9-11(15(24)25-8-2)18-10(3)12(21)20-13(14(22)23)26-16(19-20)17(4,5)6/h10-11,13,18H,7-9H2,1-6H3,(H,22,23)/p-1