ethyl (1S,2R,3R)-1-cyano-2-(phenylcarbonyl)-3-thiophen-2-yl-cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2R,3R)-1-cyano-2-(phenylcarbonyl)-3-thiophen-2-yl-cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2R,3R)-2-benzoyl-1-cyano-3-(2-thienyl)cyclopropanecarboxylate CAS Name: (1S,2R,3R)-2-benzoyl-1-cyano-3-thiophen-2-yl-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R,3R)-2-benzoyl-1-cyano-3-thiophen-2-ylcyclopropane-1-carboxylate Traditional Name: (1S,2R,3R)-2-benzoyl-1-cyano-3-(2-thienyl)cyclopropanecarboxylic acid ethyl ester Formula: C18H15NO3S MolecularWeight: 325.3816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C1C(=O)C2=CC=CC=C2)C3=CC=CS3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO3S/c1-2-22-17(21)18(11-19)14(13-9-6-10-23-13)15(18)16(20)12-7-4-3-5-8-12/h3-10,14-15H,2H2,1H3/t14-,15+,18-/m1/s1