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

Systemtic Name: methyl 3-[[C-methylsulfanyl-N-(phenylcarbonyl)carbonimidoyl]amino]-4-[(2-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-[(N-benzoyl-C-methylsulfanyl-carbonimidoyl)amino]-4-[(2-benzyloxyphenyl)methyl]-1H-pyrrole-2-carboxylate CAS Name: 3-[[benzoylimino-(methylthio)methyl]amino]-4-[(2-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(N-benzoyl-C-methylsulfanylcarbonimidoyl)amino]-4-[(2-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-(2-benzoxybenzyl)-3-[[N-benzoyl-C-(methylthio)carbonimidoyl]amino]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C29H27N3O4S MolecularWeight: 513.60738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)CC2=CC=CC=C2OCC3=CC=CC=C3)NC(=NC(=O)C4=CC=CC=C4)SC

Isomeric SMILES

COC(=O)C1=C(C(=CN1)CC2=CC=CC=C2OCC3=CC=CC=C3)NC(=NC(=O)C4=CC=CC=C4)SC

InChI

InChI=1S/C29H27N3O4S/c1-35-28(34)26-25(31-29(37-2)32-27(33)21-13-7-4-8-14-21)23(18-30-26)17-22-15-9-10-16-24(22)36-19-20-11-5-3-6-12-20/h3-16,18,30H,17,19H2,1-2H3,(H,31,32,33)