ethyl 2-[2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-benzylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[6-oxo-4-phenyl-2-(phenylmethylthio)-1-pyrimidinyl]ethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-benzylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[2-(benzylthio)-6-keto-4-phenyl-pyrimidin-1-yl]acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C32H27N3O4S2 MolecularWeight: 581.70448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3C(=O)C=C(N=C3SCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3C(=O)C=C(N=C3SCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H27N3O4S2/c1-2-39-31(38)25-18-27(24-16-10-5-11-17-24)41-30(25)34-28(36)20-35-29(37)19-26(23-14-8-4-9-15-23)33-32(35)40-21-22-12-6-3-7-13-22/h3-19H,2,20-21H2,1H3,(H,34,36)