[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] (2R)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2R)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] (2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2R)-1-tosylpyrrolidine-2-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H]2C(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C18H21N3O5S/c1-12-5-7-14(8-6-12)27(24,25)21-9-3-4-16(21)18(23)26-11-17(22)15(10-19)13(2)20/h5-8,16H,3-4,9,11,20H2,1-2H3/b15-13+/t16-/m1/s1