tert-butyl 2-ethyl-3-methyl-5-[(triphenylmethyl)sulfanylmethyl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-ethyl-3-methyl-5-[(triphenylmethyl)sulfanylmethyl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-ethyl-3-methyl-5-(tritylsulfanylmethyl)pyrrole-1-carboxylate CAS Name: 2-ethyl-3-methyl-5-[[(triphenylmethyl)thio]methyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-ethyl-3-methyl-5-(tritylsulfanylmethyl)pyrrole-1-carboxylate Traditional Name: 2-ethyl-3-methyl-5-[(tritylthio)methyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C32H35NO2S MolecularWeight: 497.6908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(N1C(=O)OC(C)(C)C)CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCC1=C(C=C(N1C(=O)OC(C)(C)C)CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C32H35NO2S/c1-6-29-24(2)22-28(33(29)30(34)35-31(3,4)5)23-36-32(25-16-10-7-11-17-25,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-22H,6,23H2,1-5H3