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

Systemtic Name: methyl 3-[[C-methylsulfanyl-N-(phenylcarbonyl)carbonimidoyl]amino]-4-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-[(N-benzoyl-C-methylsulfanyl-carbonimidoyl)amino]-4-[(3-benzyloxyphenyl)methyl]-1H-pyrrole-2-carboxylate CAS Name: 3-[[benzoylimino-(methylthio)methyl]amino]-4-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(N-benzoyl-C-methylsulfanylcarbonimidoyl)amino]-4-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-(3-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=C2)OCC3=CC=CC=C3)NC(=NC(=O)C4=CC=CC=C4)SC

Isomeric SMILES

COC(=O)C1=C(C(=CN1)CC2=CC(=CC=C2)OCC3=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)22-13-7-4-8-14-22)23(18-30-26)16-21-12-9-15-24(17-21)36-19-20-10-5-3-6-11-20/h3-15,17-18,30H,16,19H2,1-2H3,(H,31,32,33)