ethyl 4-oxidanylidene-1,3-diphenyl-6-[(E)-3-phenylprop-2-enoyl]sulfanyl-2-sulfanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-1,3-diphenyl-6-[(E)-3-phenylprop-2-enoyl]sulfanyl-2-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 4-oxo-1,3-diphenyl-6-[(E)-3-phenylprop-2-enoyl]sulfanyl-2-thioxo-pyrimidine-5-carboxylate CAS Name: 4-oxo-6-[[(E)-1-oxo-3-phenylprop-2-enyl]thio]-1,3-diphenyl-2-sulfanylidene-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-1,3-diphenyl-6-[(E)-3-phenylprop-2-enoyl]sulfanyl-2-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 4-keto-1,3-diphenyl-6-[[(E)-3-phenylacryloyl]thio]-2-thioxo-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H22N2O4S2 MolecularWeight: 514.61528

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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=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H22N2O4S2/c1-2-34-27(33)24-25(32)29(21-14-8-4-9-15-21)28(35)30(22-16-10-5-11-17-22)26(24)36-23(31)19-18-20-12-6-3-7-13-20/h3-19H,2H2,1H3/b19-18+