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

Systemtic Name: (1S,2R)-2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[(4-phenylthiazol-2-yl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[oxo-[(4-phenyl-2-thiazolyl)amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[(4-phenylthiazol-2-yl)carbamoyl]cyclohexanecarboxylate Formula: C17H17N2O3S- MolecularWeight: 329.39348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=NC(=CS2)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NC2=NC(=CS2)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C17H18N2O3S/c20-15(12-8-4-5-9-13(12)16(21)22)19-17-18-14(10-23-17)11-6-2-1-3-7-11/h1-3,6-7,10,12-13H,4-5,8-9H2,(H,21,22)(H,18,19,20)/p-1/t12-,13+/m1/s1