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

Systemtic Name: methyl 4-[(3-methylphenyl)methyl]-3-[[C-methylsulfanyl-N-(phenylcarbonyl)carbonimidoyl]amino]-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-[(N-benzoyl-C-methylsulfanyl-carbonimidoyl)amino]-4-(m-tolylmethyl)-1H-pyrrole-2-carboxylate CAS Name: 3-[[benzoylimino-(methylthio)methyl]amino]-4-[(3-methylphenyl)methyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(N-benzoyl-C-methylsulfanylcarbonimidoyl)amino]-4-[(3-methylphenyl)methyl]-1H-pyrrole-2-carboxylate Traditional Name: 3-[[N-benzoyl-C-(methylthio)carbonimidoyl]amino]-4-(3-methylbenzyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=CNC(=C2NC(=NC(=O)C3=CC=CC=C3)SC)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CC2=CNC(=C2NC(=NC(=O)C3=CC=CC=C3)SC)C(=O)OC

InChI

InChI=1S/C23H23N3O3S/c1-15-8-7-9-16(12-15)13-18-14-24-20(22(28)29-2)19(18)25-23(30-3)26-21(27)17-10-5-4-6-11-17/h4-12,14,24H,13H2,1-3H3,(H,25,26,27)