ethyl 2,4-dimethyl-5-[2-(1H-perimidin-2-ylsulfanyl)ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(1H-perimidin-2-ylsulfanyl)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(1H-perimidin-2-ylsulfanyl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-(1H-perimidin-2-ylthio)ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(1H-perimidin-2-ylsulfanyl)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(1H-perimidin-2-ylthio)acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2)C

InChI

InChI=1S/C22H21N3O3S/c1-4-28-21(27)18-12(2)20(23-13(18)3)17(26)11-29-22-24-15-9-5-7-14-8-6-10-16(25-22)19(14)15/h5-10,23H,4,11H2,1-3H3,(H,24,25)