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

Systemtic Name: ethyl (4R)-6-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[3-(1,3-benzothiazol-2-yl)-1-oxopropoxy]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C)COC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H21N3O5S/c1-3-26-18(24)17-11(2)20-19(25)22-13(17)10-27-16(23)9-8-15-21-12-6-4-5-7-14(12)28-15/h4-7,11H,3,8-10H2,1-2H3,(H2,20,22,25)/t11-/m1/s1