[4-(4-chlorophenyl)-5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: [4-(4-chlorophenyl)-5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl 1,3-benzothiazole-6-carboxylate Openeye Name: [4-(4-chlorophenyl)-5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [4-(4-chlorophenyl)-5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl ester IUPAC Name: [4-(4-chlorophenyl)-5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [5-carbethoxy-4-(4-chlorophenyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl ester Formula: C22H18ClN3O5S MolecularWeight: 471.91342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)COC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)COC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C22H18ClN3O5S/c1-2-30-21(28)18-16(25-22(29)26-19(18)12-3-6-14(23)7-4-12)10-31-20(27)13-5-8-15-17(9-13)32-11-24-15/h3-9,11,19H,2,10H2,1H3,(H2,25,26,29)