ethyl 6-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN(C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN(C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H24N4O3S/c1-3-30-22(28)20-17(25-23(29)26-21(20)15-9-5-4-6-10-15)13-27(2)14-19-24-16-11-7-8-12-18(16)31-19/h4-12,21H,3,13-14H2,1-2H3,(H2,25,26,29)