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

Systemtic Name: ethyl (4R)-6-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[4-(1,3-benzothiazol-2-yl)-1-oxobutoxy]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H23N3O5S2 MolecularWeight: 485.57582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CS2)COC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H23N3O5S2/c1-2-30-22(28)20-15(25-23(29)26-21(20)17-9-6-12-32-17)13-31-19(27)11-5-10-18-24-14-7-3-4-8-16(14)33-18/h3-4,6-9,12,21H,2,5,10-11,13H2,1H3,(H2,25,26,29)/t21-/m0/s1