1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylate

Systemtic Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylate Openeye Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylate CAS Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-4-piperidinecarboxylate IUPAC Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylate Traditional Name: 1-(3-m-anisyl-1,2,4-thiadiazol-5-yl)isonipecotate Formula: C16H18N3O3S- MolecularWeight: 332.39742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=NSC(=N2)N3CCC(CC3)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CC2=NSC(=N2)N3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C16H19N3O3S/c1-22-13-4-2-3-11(9-13)10-14-17-16(23-18-14)19-7-5-12(6-8-19)15(20)21/h2-4,9,12H,5-8,10H2,1H3,(H,20,21)/p-1