(1R,2S)-2-[(3-cyanothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[(3-cyanothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[(3-cyano-2-thienyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[(3-cyano-2-thiophenyl)amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[(3-cyanothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(3-cyano-2-thienyl)carbamoyl]cyclohexanecarboxylate Formula: C13H13N2O3S- MolecularWeight: 277.31892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=C(C=CS2)C#N)C(=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@H](C1)C(=O)NC2=C(C=CS2)C#N)C(=O)[O-]

InChI

InChI=1S/C13H14N2O3S/c14-7-8-5-6-19-12(8)15-11(16)9-3-1-2-4-10(9)13(17)18/h5-6,9-10H,1-4H2,(H,15,16)(H,17,18)/p-1/t9-,10+/m0/s1