2-ethylsulfanylethyl (4R)-4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4R)-4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R)-4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C17H21ClN2O5S MolecularWeight: 400.87704

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2)Cl)O)OC)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC(=C(C(=C2)Cl)O)OC)C

InChI

InChI=1S/C17H21ClN2O5S/c1-4-26-6-5-25-16(22)13-9(2)19-17(23)20-14(13)10-7-11(18)15(21)12(8-10)24-3/h7-8,14,21H,4-6H2,1-3H3,(H2,19,20,23)/t14-/m1/s1