5-[4-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-yl-amino]butyl]-1,3,4-thiadiazole-2-carboxylic acid

Systemtic Name: 5-[4-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-yl-amino]butyl]-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: 5-[4-[tert-butoxycarbonyl(2-pyridyl)amino]butyl]-1,3,4-thiadiazole-2-carboxylic acid CAS Name: 5-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(2-pyridinyl)amino]butyl]-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: 5-[4-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]butyl]-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: 5-[4-[tert-butoxycarbonyl(2-pyridyl)amino]butyl]-1,3,4-thiadiazole-2-carboxylic acid Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCCC1=NN=C(S1)C(=O)O)C2=CC=CC=N2

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCCC1=NN=C(S1)C(=O)O)C2=CC=CC=N2

InChI

InChI=1S/C17H22N4O4S/c1-17(2,3)25-16(24)21(12-8-4-6-10-18-12)11-7-5-9-13-19-20-14(26-13)15(22)23/h4,6,8,10H,5,7,9,11H2,1-3H3,(H,22,23)