4-ethanoyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-phenyl-1,3,4-thiadiazole-2-carboxylic acid

Systemtic Name: 4-ethanoyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-phenyl-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: 4-acetyl-5-[(tert-butoxycarbonylamino)methyl]-5-phenyl-1,3,4-thiadiazole-2-carboxylic acid CAS Name: 4-acetyl-5-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-5-phenyl-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: 4-acetyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-phenyl-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: 4-acetyl-5-[(tert-butoxycarbonylamino)methyl]-5-phenyl-1,3,4-thiadiazole-2-carboxylic acid Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC(=N1)C(=O)O)(CNC(=O)OC(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N1C(SC(=N1)C(=O)O)(CNC(=O)OC(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C17H21N3O5S/c1-11(21)20-17(12-8-6-5-7-9-12,26-13(19-20)14(22)23)10-18-15(24)25-16(2,3)4/h5-9H,10H2,1-4H3,(H,18,24)(H,22,23)