ethyl 4-(4-methoxyphenyl)carbonylsulfanyl-6-oxidanylidene-1,3-diphenyl-2-sulfanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)carbonylsulfanyl-6-oxidanylidene-1,3-diphenyl-2-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methoxybenzoyl)sulfanyl-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate CAS Name: 4-[[(4-methoxyphenyl)-oxomethyl]thio]-6-oxo-1,3-diphenyl-2-sulfanylidene-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxybenzoyl)sulfanyl-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 4-keto-6-(p-anisoylthio)-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H22N2O5S2 MolecularWeight: 518.60398

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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)C4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O5S2/c1-3-34-25(31)22-23(30)28(19-10-6-4-7-11-19)27(35)29(20-12-8-5-9-13-20)24(22)36-26(32)18-14-16-21(33-2)17-15-18/h4-17H,3H2,1-2H3