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

Systemtic Name: (1S,2S)-2-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[2-(2-phenylthiazol-4-yl)ethylcarbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[oxo-[2-(2-phenyl-4-thiazolyl)ethylamino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[2-(2-phenylthiazol-4-yl)ethylcarbamoyl]cyclohexanecarboxylate Formula: C19H21N2O3S- MolecularWeight: 357.44664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S/c22-17(15-8-4-5-9-16(15)19(23)24)20-11-10-14-12-25-18(21-14)13-6-2-1-3-7-13/h1-3,6-7,12,15-16H,4-5,8-11H2,(H,20,22)(H,23,24)/p-1/t15-,16-/m0/s1