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

Systemtic Name: methyl 3-[[C-methylsulfanyl-N-(phenylcarbonyl)carbonimidoyl]amino]-4-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-[(N-benzoyl-C-methylsulfanyl-carbonimidoyl)amino]-4-(2-thienylmethyl)-1H-pyrrole-2-carboxylate CAS Name: 3-[[benzoylimino-(methylthio)methyl]amino]-4-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(N-benzoyl-C-methylsulfanylcarbonimidoyl)amino]-4-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxylate Traditional Name: 3-[[N-benzoyl-C-(methylthio)carbonimidoyl]amino]-4-(2-thenyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)CC2=CC=CS2)NC(=NC(=O)C3=CC=CC=C3)SC

Isomeric SMILES

COC(=O)C1=C(C(=CN1)CC2=CC=CS2)NC(=NC(=O)C3=CC=CC=C3)SC

InChI

InChI=1S/C20H19N3O3S2/c1-26-19(25)17-16(14(12-21-17)11-15-9-6-10-28-15)22-20(27-2)23-18(24)13-7-4-3-5-8-13/h3-10,12,21H,11H2,1-2H3,(H,22,23,24)