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

Systemtic Name: diethyl 5-[(N,N'-dimethylcarbamimidoyl)sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[(N,N'-dimethylcarbamimidoyl)sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[methylamino(methylimino)methyl]thio]methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(N,N'-dimethylcarbamimidoyl)sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[(N,N'-dimethylamidino)thio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C15H23N3O4S MolecularWeight: 341.42582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC(=NC)NC

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC(=NC)NC

InChI

InChI=1S/C15H23N3O4S/c1-6-21-13(19)11-9(3)12(14(20)22-7-2)18-10(11)8-23-15(16-4)17-5/h18H,6-8H2,1-5H3,(H,16,17)