ethyl 4-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]sulfanyl-6-oxidanylidene-1,3-diphenyl-2-sulfanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]sulfanyl-6-oxidanylidene-1,3-diphenyl-2-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(4-chlorophenoxy)-2-methyl-propanoyl]sulfanyl-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate CAS Name: 4-[[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]thio]-6-oxo-1,3-diphenyl-2-sulfanylidene-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-chlorophenoxy)-2-methylpropanoyl]sulfanyl-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 4-[[2-(4-chlorophenoxy)-2-methyl-propanoyl]thio]-6-keto-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylic acid ethyl ester Formula: C29H25ClN2O5S2 MolecularWeight: 581.1022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C(C)(C)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C(C)(C)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H25ClN2O5S2/c1-4-36-26(34)23-24(33)31(20-11-7-5-8-12-20)28(38)32(21-13-9-6-10-14-21)25(23)39-27(35)29(2,3)37-22-17-15-19(30)16-18-22/h5-18H,4H2,1-3H3