ethyl 6-(4-chlorophenyl)-3-methyl-4-oxidanyl-5-(phenylcarbonyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate

Systemtic Name: ethyl 6-(4-chlorophenyl)-3-methyl-4-oxidanyl-5-(phenylcarbonyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: ethyl 5-benzoyl-6-(4-chlorophenyl)-4-hydroxy-3-methyl-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-benzoyl-6-(4-chlorophenyl)-4-hydroxy-3-methyl-2-sulfanylidene-1,3-diazinane-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-benzoyl-6-(4-chlorophenyl)-4-hydroxy-3-methyl-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-benzoyl-6-(4-chlorophenyl)-4-hydroxy-3-methyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid ethyl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C(NC(=S)N1C)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1(C(C(NC(=S)N1C)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C21H21ClN2O4S/c1-3-28-19(26)21(27)16(18(25)14-7-5-4-6-8-14)17(23-20(29)24(21)2)13-9-11-15(22)12-10-13/h4-12,16-17,27H,3H2,1-2H3,(H,23,29)