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

Systemtic Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxylic acid Openeye Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxylic acid CAS Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-3-piperidinecarboxylic acid IUPAC Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxylic acid Traditional Name: 1-(3-m-anisyl-1,2,4-thiadiazol-5-yl)nipecotic acid Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=NSC(=N2)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CC2=NSC(=N2)N3CCCC(C3)C(=O)O

InChI

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