dibutyl 2-methyl-3-(phenylcarbamoyl)-5-phenylsulfanyl-1H-pyrrolo[1,2-a]imidazole-6,7-dicarboxylate

Systemtic Name: dibutyl 2-methyl-3-(phenylcarbamoyl)-5-phenylsulfanyl-1H-pyrrolo[1,2-a]imidazole-6,7-dicarboxylate Openeye Name: dibutyl 2-methyl-3-(phenylcarbamoyl)-5-phenylsulfanyl-1H-pyrrolo[1,2-a]imidazole-6,7-dicarboxylate CAS Name: 3-[anilino(oxo)methyl]-2-methyl-5-(phenylthio)-1H-pyrrolo[1,2-a]imidazole-6,7-dicarboxylic acid dibutyl ester IUPAC Name: dibutyl 2-methyl-3-(phenylcarbamoyl)-5-phenylsulfanyl-1H-pyrrolo[1,2-a]imidazole-6,7-dicarboxylate Traditional Name: 2-methyl-3-(phenylcarbamoyl)-5-(phenylthio)-1H-pyrrol[1,2-a]imidazole-6,7-dicarboxylic acid dibutyl ester Formula: C30H33N3O5S MolecularWeight: 547.66512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C2NC(=C(N2C(=C1C(=O)OCCCC)SC3=CC=CC=C3)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CCCCOC(=O)C1=C2NC(=C(N2C(=C1C(=O)OCCCC)SC3=CC=CC=C3)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C30H33N3O5S/c1-4-6-18-37-29(35)23-24(30(36)38-19-7-5-2)28(39-22-16-12-9-13-17-22)33-25(20(3)31-26(23)33)27(34)32-21-14-10-8-11-15-21/h8-17,31H,4-7,18-19H2,1-3H3,(H,32,34)