methyl 4-[(4-iodophenyl)methyl]-3-[[C-methylsulfanyl-N-(phenylcarbonyl)carbonimidoyl]amino]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[(4-iodophenyl)methyl]-3-[[C-methylsulfanyl-N-(phenylcarbonyl)carbonimidoyl]amino]-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-[(N-benzoyl-C-methylsulfanyl-carbonimidoyl)amino]-4-[(4-iodophenyl)methyl]-1H-pyrrole-2-carboxylate CAS Name: 3-[[benzoylimino-(methylthio)methyl]amino]-4-[(4-iodophenyl)methyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(N-benzoyl-C-methylsulfanylcarbonimidoyl)amino]-4-[(4-iodophenyl)methyl]-1H-pyrrole-2-carboxylate Traditional Name: 3-[[N-benzoyl-C-(methylthio)carbonimidoyl]amino]-4-(4-iodobenzyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C22H20IN3O3S MolecularWeight: 533.38197

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)CC2=CC=C(C=C2)I)NC(=NC(=O)C3=CC=CC=C3)SC

Isomeric SMILES

COC(=O)C1=C(C(=CN1)CC2=CC=C(C=C2)I)NC(=NC(=O)C3=CC=CC=C3)SC

InChI

InChI=1S/C22H20IN3O3S/c1-29-21(28)19-18(16(13-24-19)12-14-8-10-17(23)11-9-14)25-22(30-2)26-20(27)15-6-4-3-5-7-15/h3-11,13,24H,12H2,1-2H3,(H,25,26,27)