ethyl (4R)-6-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-6-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[4-(1,3-benzothiazol-2-yl)-1-oxobutoxy]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C)COC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H23N3O5S/c1-3-27-19(25)18-12(2)21-20(26)23-14(18)11-28-17(24)10-6-9-16-22-13-7-4-5-8-15(13)29-16/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H2,21,23,26)/t12-/m1/s1