ethyl 5-(2-methylpropanoyl)-4-oxidanyl-3,6-diphenyl-2-sulfanylidene-1,3-diazinane-4-carboxylate

Systemtic Name: ethyl 5-(2-methylpropanoyl)-4-oxidanyl-3,6-diphenyl-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: ethyl 4-hydroxy-5-(2-methylpropanoyl)-3,6-diphenyl-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 4-hydroxy-5-(2-methyl-1-oxopropyl)-3,6-diphenyl-2-sulfanylidene-1,3-diazinane-4-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-5-(2-methylpropanoyl)-3,6-diphenyl-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 4-hydroxy-5-isobutyryl-3,6-diphenyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid ethyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(C)C)O

Isomeric SMILES

CCOC(=O)C1(C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(C)C)O

InChI

InChI=1S/C23H26N2O4S/c1-4-29-21(27)23(28)18(20(26)15(2)3)19(16-11-7-5-8-12-16)24-22(30)25(23)17-13-9-6-10-14-17/h5-15,18-19,28H,4H2,1-3H3,(H,24,30)