[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [2-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-keto-2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCOC)C)C(=O)COC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC1=CC(=C(N1CCCOC)C)C(=O)COC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C18H22ClN3O4S/c1-11-8-13(12(2)22(11)6-5-7-25-3)15(23)10-26-17(24)16-14(19)9-20-18(21-16)27-4/h8-9H,5-7,10H2,1-4H3