methyl 2,4-dimethyl-5-[(2S)-2-pyrimidin-2-ylsulfanylpropanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-pyrimidin-2-ylsulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[(2S)-2-pyrimidin-2-ylsulfanylpropanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-(2-pyrimidinylthio)propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(2S)-2-pyrimidin-2-ylsulfanylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-(2-pyrimidylthio)propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC=CC=N2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)SC2=NC=CC=N2

InChI

InChI=1S/C15H17N3O3S/c1-8-11(14(20)21-4)9(2)18-12(8)13(19)10(3)22-15-16-6-5-7-17-15/h5-7,10,18H,1-4H3/t10-/m0/s1