methyl (3R,4R)-3-(2-chlorophenyl)-2,4-dicyano-5-oxidanylidene-5-phenylazanyl-pentanimidothioate

Systemtic Name: methyl (3R,4R)-3-(2-chlorophenyl)-2,4-dicyano-5-oxidanylidene-5-phenylazanyl-pentanimidothioate Openeye Name: methyl (3R,4R)-5-anilino-3-(2-chlorophenyl)-2,4-dicyano-5-oxo-pentanimidothioate CAS Name: (3R,4R)-5-anilino-3-(2-chlorophenyl)-2,4-dicyano-5-oxopentanimidothioic acid methyl ester IUPAC Name: methyl (3R,4R)-5-anilino-3-(2-chlorophenyl)-2,4-dicyano-5-oxopentanimidothioate Traditional Name: (3R,4R)-5-anilino-3-(2-chlorophenyl)-2,4-dicyano-5-keto-thiovalerimidic acid methyl ester Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=N)C(C#N)C(C1=CC=CC=C1Cl)C(C#N)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CSC(=N)C(C#N)[C@H](C1=CC=CC=C1Cl)[C@H](C#N)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H17ClN4OS/c1-27-19(24)15(11-22)18(14-9-5-6-10-17(14)21)16(12-23)20(26)25-13-7-3-2-4-8-13/h2-10,15-16,18,24H,1H3,(H,25,26)/t15?,16-,18-/m0/s1