O2-ethyl O7-(2-hexyldecyl) 6-isocyano-3-phenyl-5-phenylsulfanyl-1H-pyrrolo[1,2-a]imidazole-2,7-dicarboxylate

Systemtic Name: O2-ethyl O7-(2-hexyldecyl) 6-isocyano-3-phenyl-5-phenylsulfanyl-1H-pyrrolo[1,2-a]imidazole-2,7-dicarboxylate Openeye Name: O2-ethyl O7-(2-hexyldecyl) 6-isocyano-3-phenyl-5-phenylsulfanyl-1H-pyrrolo[1,2-a]imidazole-2,7-dicarboxylate CAS Name: 6-isocyano-3-phenyl-5-(phenylthio)-1H-pyrrolo[1,2-a]imidazole-2,7-dicarboxylic acid O2-ethyl ester O7-(2-hexyldecyl) ester IUPAC Name: 2-O-ethyl 7-O-(2-hexyldecyl) 6-isocyano-3-phenyl-5-phenylsulfanyl-1H-pyrrolo[1,2-a]imidazole-2,7-dicarboxylate Traditional Name: 6-isocyano-3-phenyl-5-(phenylthio)-1H-pyrrol[1,2-a]imidazole-2,7-dicarboxylic acid O2-ethyl ester O7-(2-hexyldecyl) ester Formula: C39H49N3O4S MolecularWeight: 655.88906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)COC(=O)C1=C2NC(=C(N2C(=C1[N+]#[C-])SC3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCCCCCCCC(CCCCCC)COC(=O)C1=C2NC(=C(N2C(=C1[N+]#[C-])SC3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C39H49N3O4S/c1-5-8-10-12-13-17-23-29(22-16-11-9-6-2)28-46-38(43)32-33(40-4)37(47-31-26-20-15-21-27-31)42-35(30-24-18-14-19-25-30)34(41-36(32)42)39(44)45-7-3/h14-15,18-21,24-27,29,41H,5-13,16-17,22-23,28H2,1-3H3