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

Systemtic Name: (1S,2S)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[[4-(4-bromophenyl)thiazol-2-yl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[[4-(4-bromophenyl)-2-thiazolyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[[4-(4-bromophenyl)thiazol-2-yl]carbamoyl]cyclohexanecarboxylate Formula: C17H16BrN2O3S- MolecularWeight: 408.28954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O3S/c18-11-7-5-10(6-8-11)14-9-24-17(19-14)20-15(21)12-3-1-2-4-13(12)16(22)23/h5-9,12-13H,1-4H2,(H,22,23)(H,19,20,21)/p-1/t12-,13-/m0/s1