methyl (3S,4S)-1-methyl-4-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxylate

Systemtic Name: methyl (3S,4S)-1-methyl-4-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxylate Openeye Name: methyl (3S,4S)-1-methyl-4-(4-thiazol-2-ylphenyl)piperidine-3-carboxylate CAS Name: (3S,4S)-1-methyl-4-[4-(2-thiazolyl)phenyl]-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-1-methyl-4-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxylate Traditional Name: (3S,4S)-1-methyl-4-(4-thiazol-2-ylphenyl)nipecotic acid methyl ester Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)C(=O)OC)C2=CC=C(C=C2)C3=NC=CS3

Isomeric SMILES

CN1CC[C@@H]([C@@H](C1)C(=O)OC)C2=CC=C(C=C2)C3=NC=CS3

InChI

InChI=1S/C17H20N2O2S/c1-19-9-7-14(15(11-19)17(20)21-2)12-3-5-13(6-4-12)16-18-8-10-22-16/h3-6,8,10,14-15H,7,9,11H2,1-2H3/t14-,15-/m1/s1