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

Systemtic Name: 5-tert-butyl-3-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-2H-1,3,4-thiadiazole-2-carboxylate Openeye Name: 5-tert-butyl-3-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-2H-1,3,4-thiadiazole-2-carboxylate CAS Name: 5-tert-butyl-3-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-2H-1,3,4-thiadiazole-2-carboxylate IUPAC Name: 5-tert-butyl-3-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-2H-1,3,4-thiadiazole-2-carboxylate Traditional Name: 5-tert-butyl-3-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-2H-1,3,4-thiadiazole-2-carboxylate Formula: C22H30N3O5S- MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(SC(=N2)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(SC(=N2)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C22H31N3O5S/c1-6-30-20(29)16(13-12-15-10-8-7-9-11-15)23-14(2)17(26)25-18(19(27)28)31-21(24-25)22(3,4)5/h7-11,14,16,18,23H,6,12-13H2,1-5H3,(H,27,28)/p-1