methyl (2S,4Z)-4-(cyanomethylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4Z)-4-(cyanomethylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4Z)-4-(cyanomethylene)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S,4Z)-4-(cyanomethylidene)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4Z)-4-(cyanomethylidene)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S,4Z)-4-(cyanomethylene)-1-tosyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC#N)CC2C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C/C(=C\C#N)/C[C@H]2C(=O)OC

InChI

InChI=1S/C15H16N2O4S/c1-11-3-5-13(6-4-11)22(19,20)17-10-12(7-8-16)9-14(17)15(18)21-2/h3-7,14H,9-10H2,1-2H3/b12-7-/t14-/m0/s1