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

Systemtic Name: methyl 4-[(3-methoxyphenyl)methyl]-3-[[C-methylsulfanyl-N-(phenylcarbonyl)carbonimidoyl]amino]-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-[(N-benzoyl-C-methylsulfanyl-carbonimidoyl)amino]-4-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxylate CAS Name: 3-[[benzoylimino-(methylthio)methyl]amino]-4-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(N-benzoyl-C-methylsulfanylcarbonimidoyl)amino]-4-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxylate Traditional Name: 3-[[N-benzoyl-C-(methylthio)carbonimidoyl]amino]-4-m-anisyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=CNC(=C2NC(=NC(=O)C3=CC=CC=C3)SC)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)CC2=CNC(=C2NC(=NC(=O)C3=CC=CC=C3)SC)C(=O)OC

InChI

InChI=1S/C23H23N3O4S/c1-29-18-11-7-8-15(13-18)12-17-14-24-20(22(28)30-2)19(17)25-23(31-3)26-21(27)16-9-5-4-6-10-16/h4-11,13-14,24H,12H2,1-3H3,(H,25,26,27)