diethyl 5-[[N'-(furan-2-ylmethyl)carbamimidoyl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[N'-(furan-2-ylmethyl)carbamimidoyl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[[N'-(2-furylmethyl)carbamimidoyl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[[amino(2-furanylmethylimino)methyl]thio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[N'-(furan-2-ylmethyl)carbamimidoyl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[[N'-(2-furfuryl)amidino]thio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC(=NCC2=CC=CO2)N

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC(=NCC2=CC=CO2)N

InChI

InChI=1S/C18H23N3O5S/c1-4-24-16(22)14-11(3)15(17(23)25-5-2)21-13(14)10-27-18(19)20-9-12-7-6-8-26-12/h6-8,21H,4-5,9-10H2,1-3H3,(H2,19,20)