(1S,6S)-6-[(3-cyanothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[(3-cyanothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(3-cyano-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[(3-cyano-2-thiophenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(3-cyanothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(3-cyano-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C13H11N2O3S- MolecularWeight: 275.30304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C(C=CS2)C#N)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@H]1C(=O)NC2=C(C=CS2)C#N)C(=O)[O-]

InChI

InChI=1S/C13H12N2O3S/c14-7-8-5-6-19-12(8)15-11(16)9-3-1-2-4-10(9)13(17)18/h1-2,5-6,9-10H,3-4H2,(H,15,16)(H,17,18)/p-1/t9-,10-/m0/s1