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

Systemtic Name: (1S,2R)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[[4-(4-nitrophenyl)thiazol-2-yl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[[4-(4-nitrophenyl)-2-thiazolyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[[4-(4-nitrophenyl)thiazol-2-yl]carbamoyl]cyclohexanecarboxylate Formula: C17H16N3O5S- MolecularWeight: 374.39104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5S/c21-15(12-3-1-2-4-13(12)16(22)23)19-17-18-14(9-26-17)10-5-7-11(8-6-10)20(24)25/h5-9,12-13H,1-4H2,(H,22,23)(H,18,19,21)/p-1/t12-,13+/m1/s1