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

Systemtic Name: ethyl 2,4-dimethyl-5-[(2R)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2R)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2R)-1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2R)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2R)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)S[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

InChI

InChI=1S/C19H25N3O4S/c1-6-8-13-9-14(23)22-19(21-13)27-12(5)17(24)16-10(3)15(11(4)20-16)18(25)26-7-2/h9,12,20H,6-8H2,1-5H3,(H,21,22,23)/t12-/m1/s1