methyl (2R,6R)-1-cyano-4-oxidanylidene-2,6-dithiophen-2-yl-cyclohexane-1-carboxylate

Systemtic Name: methyl (2R,6R)-1-cyano-4-oxidanylidene-2,6-dithiophen-2-yl-cyclohexane-1-carboxylate Openeye Name: methyl (2R,6R)-1-cyano-4-oxo-2,6-bis(2-thienyl)cyclohexanecarboxylate CAS Name: (2R,6R)-1-cyano-4-oxo-2,6-dithiophen-2-yl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (2R,6R)-1-cyano-4-oxo-2,6-dithiophen-2-ylcyclohexane-1-carboxylate Traditional Name: (2R,6R)-1-cyano-4-keto-2,6-bis(2-thienyl)cyclohexanecarboxylic acid methyl ester Formula: C17H15NO3S2 MolecularWeight: 345.4359

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(CC(=O)CC1C2=CC=CS2)C3=CC=CS3)C#N

Isomeric SMILES

COC(=O)C1([C@@H](CC(=O)C[C@H]1C2=CC=CS2)C3=CC=CS3)C#N

InChI

InChI=1S/C17H15NO3S2/c1-21-16(20)17(10-18)12(14-4-2-6-22-14)8-11(19)9-13(17)15-5-3-7-23-15/h2-7,12-13H,8-9H2,1H3/t12-,13-/m0/s1