2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-5-morpholin-4-yl-3H-1,3,4-thiadiazole-2-carboxylic acid

Systemtic Name: 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-5-morpholin-4-yl-3H-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-5-morpholino-3H-1,3,4-thiadiazole-2-carboxylic acid CAS Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-5-(4-morpholinyl)-3H-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-5-morpholin-4-yl-3H-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-5-morpholino-3H-1,3,4-thiadiazole-2-carboxylic acid Formula: C22H30N4O6S MolecularWeight: 478.5618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)C2(NN=C(S2)N3CCOCC3)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)C2(NN=C(S2)N3CCOCC3)C(=O)O

InChI

InChI=1S/C22H30N4O6S/c1-3-32-19(28)17(10-9-16-7-5-4-6-8-16)23-15(2)18(27)22(20(29)30)25-24-21(33-22)26-11-13-31-14-12-26/h4-8,15,17,23,25H,3,9-14H2,1-2H3,(H,29,30)