ethyl 2-[2-(4-oxidanylidene-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)ethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-oxidanylidene-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-oxo-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[4-oxo-2-(phenethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]ethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-oxo-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-keto-2-(phenethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C30H29N3O4S2 MolecularWeight: 559.69896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3C(=O)C4=C(CCC4)N=C3SCCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3C(=O)C4=C(CCC4)N=C3SCCC5=CC=CC=C5

InChI

InChI=1S/C30H29N3O4S2/c1-2-37-29(36)23-18-25(21-12-7-4-8-13-21)39-27(23)32-26(34)19-33-28(35)22-14-9-15-24(22)31-30(33)38-17-16-20-10-5-3-6-11-20/h3-8,10-13,18H,2,9,14-17,19H2,1H3,(H,32,34)