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

Systemtic Name: ethyl (3S)-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-(3-m-anisyl-1,2,4-thiadiazol-5-yl)nipecotic acid ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC(=NS2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=NC(=NS2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C18H23N3O3S/c1-3-24-17(22)14-7-5-9-21(12-14)18-19-16(20-25-18)11-13-6-4-8-15(10-13)23-2/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3/t14-/m0/s1