ethyl 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(2,4-dimethylphenyl)-3-methyl-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(2,4-dimethylphenyl)-3-methyl-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(2,4-dimethylphenyl)-3-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-4-(2,4-dimethylphenyl)-3-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(2,4-dimethylphenyl)-3-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-4-(2,4-dimethylphenyl)-2-keto-3-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H25N3O3S2 MolecularWeight: 467.6036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N(C1C2=C(C=C(C=C2)C)C)C)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N(C1C2=C(C=C(C=C2)C)C)C)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H25N3O3S2/c1-5-30-22(28)20-18(13-31-24-26-17-8-6-7-9-19(17)32-24)25-23(29)27(4)21(20)16-11-10-14(2)12-15(16)3/h6-12,21H,5,13H2,1-4H3,(H,25,29)