(1S,2S)-2-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[2-[2-(3-pyridyl)thiazol-4-yl]ethylcarbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[oxo-[2-[2-(3-pyridinyl)-4-thiazolyl]ethylamino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[2-[2-(3-pyridyl)thiazol-4-yl]ethylcarbamoyl]cyclohexanecarboxylate Formula: C18H20N3O3S- MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCCC2=CSC(=N2)C3=CN=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)NCCC2=CSC(=N2)C3=CN=CC=C3)C(=O)[O-]

InChI

InChI=1S/C18H21N3O3S/c22-16(14-5-1-2-6-15(14)18(23)24)20-9-7-13-11-25-17(21-13)12-4-3-8-19-10-12/h3-4,8,10-11,14-15H,1-2,5-7,9H2,(H,20,22)(H,23,24)/p-1/t14-,15-/m0/s1