tert-butyl 5-cyano-2-[2-methoxy-2-methyl-1-(methylsulfinylamino)pentyl]-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 5-cyano-2-[2-methoxy-2-methyl-1-(methylsulfinylamino)pentyl]-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 5-cyano-2-[1-(methanesulfinamido)-2-methoxy-2-methyl-pentyl]-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylate CAS Name: 5-cyano-2-[1-(methanesulfinamido)-2-methoxy-2-methylpentyl]-3-[(E)-prop-1-enyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-cyano-2-[1-(methanesulfinamido)-2-methoxy-2-methylpentyl]-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylate Traditional Name: 5-cyano-2-[1-(methanesulfinamido)-2-methoxy-2-methyl-pentyl]-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H37N3O4S MolecularWeight: 427.60118

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(C1C(CC(N1C(=O)OC(C)(C)C)C#N)C=CC)NS(=O)C)OC

Isomeric SMILES

CCCC(C)(C(C1C(CC(N1C(=O)OC(C)(C)C)C#N)/C=C/C)NS(=O)C)OC

InChI

InChI=1S/C21H37N3O4S/c1-9-11-15-13-16(14-22)24(19(25)28-20(3,4)5)17(15)18(23-29(8)26)21(6,27-7)12-10-2/h9,11,15-18,23H,10,12-13H2,1-8H3/b11-9+