diethyl 5-(carbamimidoylsulfanylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate hydrochloride

Systemtic Name: diethyl 5-(carbamimidoylsulfanylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate hydrochloride Openeye Name: diethyl 5-(carbamimidoylsulfanylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate hydrochloride CAS Name: 5-[(carbamimidoylthio)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester hydrochloride IUPAC Name: diethyl 5-(carbamimidoylsulfanylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate hydrochloride Traditional Name: 5-[(amidinothio)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester hydrochloride Formula: C13H20ClN3O4S MolecularWeight: 349.8336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC(=N)N.Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC(=N)N.Cl

InChI

InChI=1S/C13H19N3O4S.ClH/c1-4-19-11(17)9-7(3)10(12(18)20-5-2)16-8(9)6-21-13(14)15;/h16H,4-6H2,1-3H3,(H3,14,15);1H