ethyl 2,4-dimethyl-5-[(2S)-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-[(6-oxo-1H-pyrimidin-2-yl)thio]propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[(6-keto-1H-pyrimidin-2-yl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NC=CC(=O)N2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)SC2=NC=CC(=O)N2)C

InChI

InChI=1S/C16H19N3O4S/c1-5-23-15(22)12-8(2)13(18-9(12)3)14(21)10(4)24-16-17-7-6-11(20)19-16/h6-7,10,18H,5H2,1-4H3,(H,17,19,20)/t10-/m0/s1