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

Systemtic Name: methyl 3-[[C-methylsulfanyl-N-(phenylcarbonyl)carbonimidoyl]amino]-4-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-[(N-benzoyl-C-methylsulfanyl-carbonimidoyl)amino]-4-(3-pyridylmethyl)-1H-pyrrole-2-carboxylate CAS Name: 3-[[benzoylimino-(methylthio)methyl]amino]-4-(3-pyridinylmethyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(N-benzoyl-C-methylsulfanylcarbonimidoyl)amino]-4-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxylate Traditional Name: 3-[[N-benzoyl-C-(methylthio)carbonimidoyl]amino]-4-(3-pyridylmethyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C21H20N4O3S MolecularWeight: 410.466042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=C(C(=CN1)CC2=CN=CC=C2)N[14C](=NC(=O)C3=CC=CC=C3)SC

InChI

InChI=1S/C21H20N4O3S/c1-28-20(27)18-17(16(13-23-18)11-14-7-6-10-22-12-14)24-21(29-2)25-19(26)15-8-4-3-5-9-15/h3-10,12-13,23H,11H2,1-2H3,(H,24,25,26)/i21+2