5-cyano-2-[2-methoxy-2-methyl-1-[(triphenylmethyl)sulfanylamino]pentyl]-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 5-cyano-2-[2-methoxy-2-methyl-1-[(triphenylmethyl)sulfanylamino]pentyl]-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid Openeye Name: 5-cyano-2-[2-methoxy-2-methyl-1-(tritylsulfanylamino)pentyl]-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid CAS Name: 5-cyano-2-[2-methoxy-2-methyl-1-[[(triphenylmethyl)thio]amino]pentyl]-3-[(E)-prop-1-enyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 5-cyano-2-[2-methoxy-2-methyl-1-(tritylsulfanylamino)pentyl]-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid Traditional Name: 5-cyano-2-[2-methoxy-2-methyl-1-[(tritylthio)amino]pentyl]-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid Formula: C35H41N3O3S MolecularWeight: 583.78334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(C1C(CC(N1C(=O)O)C#N)C=CC)NSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

CCCC(C)(C(C1C(CC(N1C(=O)O)C#N)/C=C/C)NSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C35H41N3O3S/c1-5-16-26-24-30(25-36)38(33(39)40)31(26)32(34(3,41-4)23-6-2)37-42-35(27-17-10-7-11-18-27,28-19-12-8-13-20-28)29-21-14-9-15-22-29/h5,7-22,26,30-32,37H,6,23-24H2,1-4H3,(H,39,40)/b16-5+