methyl (2S,4E)-4-(2-ethoxy-2-oxidanylidene-ethylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4E)-4-(2-ethoxy-2-oxidanylidene-ethylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4E)-4-(2-ethoxy-2-oxo-ethylidene)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S,4E)-4-(2-ethoxy-2-oxoethylidene)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4E)-4-(2-ethoxy-2-oxoethylidene)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S,4E)-4-(2-ethoxy-2-keto-ethylidene)-1-tosyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC

Isomeric SMILES

CCOC(=O)/C=C/1\C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC

InChI

InChI=1S/C17H21NO6S/c1-4-24-16(19)10-13-9-15(17(20)23-3)18(11-13)25(21,22)14-7-5-12(2)6-8-14/h5-8,10,15H,4,9,11H2,1-3H3/b13-10+/t15-/m0/s1