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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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