methyl 3-[2,3-bis(chloranyl)phenyl]-2-cyano-5-oxidanylidene-5-thiophen-2-yl-pentanoate

Systemtic Name: methyl 3-[2,3-bis(chloranyl)phenyl]-2-cyano-5-oxidanylidene-5-thiophen-2-yl-pentanoate Openeye Name: methyl 2-cyano-3-(2,3-dichlorophenyl)-5-oxo-5-(2-thienyl)pentanoate CAS Name: 2-cyano-3-(2,3-dichlorophenyl)-5-oxo-5-thiophen-2-ylpentanoic acid methyl ester IUPAC Name: methyl 2-cyano-3-(2,3-dichlorophenyl)-5-oxo-5-thiophen-2-ylpentanoate Traditional Name: 2-cyano-3-(2,3-dichlorophenyl)-5-keto-5-(2-thienyl)valeric acid methyl ester Formula: C17H13Cl2NO3S MolecularWeight: 382.26102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C(CC(=O)C1=CC=CS1)C2=C(C(=CC=C2)Cl)Cl

Isomeric SMILES

COC(=O)C(C#N)C(CC(=O)C1=CC=CS1)C2=C(C(=CC=C2)Cl)Cl

InChI

InChI=1S/C17H13Cl2NO3S/c1-23-17(22)12(9-20)11(8-14(21)15-6-3-7-24-15)10-4-2-5-13(18)16(10)19/h2-7,11-12H,8H2,1H3