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

Systemtic Name: methyl 2,4-dimethyl-5-[(2R)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-6-7-12-8-13(22)21-18(20-12)26-11(4)16(23)15-9(2)14(10(3)19-15)17(24)25-5/h8,11,19H,6-7H2,1-5H3,(H,20,21,22)/t11-/m1/s1