ethyl 2,4-dimethyl-5-[2-(2-quinoxalin-2-ylsulfanylethanoyloxy)propanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(2-quinoxalin-2-ylsulfanylethanoyloxy)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(2-quinoxalin-2-ylsulfanylacetyl)oxypropanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[1-oxo-2-(2-quinoxalinylthio)ethoxy]propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(2-quinoxalin-2-ylsulfanylacetyl)oxypropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[2-(quinoxalin-2-ylthio)acetyl]oxypropanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)CSC2=NC3=CC=CC=C3N=C2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)CSC2=NC3=CC=CC=C3N=C2)C

InChI

InChI=1S/C22H23N3O5S/c1-5-29-22(28)19-12(2)20(24-13(19)3)21(27)14(4)30-18(26)11-31-17-10-23-15-8-6-7-9-16(15)25-17/h6-10,14,24H,5,11H2,1-4H3