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

Systemtic Name: ethyl 3-[[C-methylsulfanyl-N-(phenylcarbonyl)carbonimidoyl]amino]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3-[(N-benzoyl-C-methylsulfanyl-carbonimidoyl)amino]-1H-pyrrole-2-carboxylate CAS Name: 3-[[benzoylimino-(methylthio)methyl]amino]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(N-benzoyl-C-methylsulfanylcarbonimidoyl)amino]-1H-pyrrole-2-carboxylate Traditional Name: 3-[[N-benzoyl-C-(methylthio)carbonimidoyl]amino]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CN1)NC(=NC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CCOC(=O)C1=C(C=CN1)NC(=NC(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C16H17N3O3S/c1-3-22-15(21)13-12(9-10-17-13)18-16(23-2)19-14(20)11-7-5-4-6-8-11/h4-10,17H,3H2,1-2H3,(H,18,19,20)