diethyl 5-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 5-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylthio)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylthio)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=NC3CCCCC3N2

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=NC3CCCCC3N2

InChI

InChI=1S/C19H27N3O4S/c1-4-25-17(23)15-11(3)16(18(24)26-5-2)20-14(15)10-27-19-21-12-8-6-7-9-13(12)22-19/h12-13,20H,4-10H2,1-3H3,(H,21,22)