methyl 4-(5-piperidin-4-yl-1,3,4-thiadiazol-2-yl)benzoate

Systemtic Name: methyl 4-(5-piperidin-4-yl-1,3,4-thiadiazol-2-yl)benzoate Openeye Name: methyl 4-[5-(4-piperidyl)-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-(4-piperidinyl)-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-(5-piperidin-4-yl-1,3,4-thiadiazol-2-yl)benzoate Traditional Name: 4-[5-(4-piperidyl)-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NN=C(S2)C3CCNCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NN=C(S2)C3CCNCC3

InChI

InChI=1S/C15H17N3O2S/c1-20-15(19)12-4-2-10(3-5-12)13-17-18-14(21-13)11-6-8-16-9-7-11/h2-5,11,16H,6-9H2,1H3