methyl 5-cyano-2-oxidanylidene-5-thiophen-2-yl-cyclohexane-1-carboxylate

Systemtic Name: methyl 5-cyano-2-oxidanylidene-5-thiophen-2-yl-cyclohexane-1-carboxylate Openeye Name: methyl 5-cyano-2-oxo-5-(2-thienyl)cyclohexanecarboxylate CAS Name: 5-cyano-2-oxo-5-thiophen-2-yl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-2-oxo-5-thiophen-2-ylcyclohexane-1-carboxylate Traditional Name: 5-cyano-2-keto-5-(2-thienyl)cyclohexanecarboxylic acid methyl ester Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CCC1=O)(C#N)C2=CC=CS2

Isomeric SMILES

COC(=O)C1CC(CCC1=O)(C#N)C2=CC=CS2

InChI

InChI=1S/C13H13NO3S/c1-17-12(16)9-7-13(8-14,5-4-10(9)15)11-3-2-6-18-11/h2-3,6,9H,4-5,7H2,1H3