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

Systemtic Name: ethyl 2-[2-(4-oxidanylidene-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(4-oxo-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[4-oxo-2-(phenethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-oxo-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-[4-keto-2-(phenethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetyl]amino]benzoic acid ethyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C3=C(CCC3)N=C2SCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C3=C(CCC3)N=C2SCCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4S/c1-2-33-25(32)20-11-6-7-13-22(20)27-23(30)17-29-24(31)19-12-8-14-21(19)28-26(29)34-16-15-18-9-4-3-5-10-18/h3-7,9-11,13H,2,8,12,14-17H2,1H3,(H,27,30)