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

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-(2-quinoxalin-2-ylsulfanylethanoyloxy)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[(2S)-2-(2-quinoxalin-2-ylsulfanylacetyl)oxypropanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-[1-oxo-2-(2-quinoxalinylthio)ethoxy]propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(2S)-2-(2-quinoxalin-2-ylsulfanylacetyl)oxypropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-[2-(quinoxalin-2-ylthio)acetyl]oxypropanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)OC(=O)CSC2=NC3=CC=CC=C3N=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)OC(=O)CSC2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C21H21N3O5S/c1-11-18(21(27)28-4)12(2)23-19(11)20(26)13(3)29-17(25)10-30-16-9-22-14-7-5-6-8-15(14)24-16/h5-9,13,23H,10H2,1-4H3/t13-/m0/s1