methyl 3-[[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[5-[4-(4-piperidyl)phenyl]-1,3,4-thiadiazole-2-carbonyl]amino]propanoate CAS Name: 3-[[oxo-[5-[4-(4-piperidinyl)phenyl]-1,3,4-thiadiazol-2-yl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazole-2-carbonyl]amino]propanoate Traditional Name: 3-[[5-[4-(4-piperidyl)phenyl]-1,3,4-thiadiazole-2-carbonyl]amino]propionic acid methyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=NN=C(S1)C2=CC=C(C=C2)C3CCNCC3

Isomeric SMILES

COC(=O)CCNC(=O)C1=NN=C(S1)C2=CC=C(C=C2)C3CCNCC3

InChI

InChI=1S/C18H22N4O3S/c1-25-15(23)8-11-20-16(24)18-22-21-17(26-18)14-4-2-12(3-5-14)13-6-9-19-10-7-13/h2-5,13,19H,6-11H2,1H3,(H,20,24)