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

Systemtic Name: methyl 2-[2-(4-oxidanylidene-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H25N3O4S MolecularWeight: 463.5487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O4S/c1-32-24(31)19-10-5-6-12-21(19)26-22(29)16-28-23(30)18-11-7-13-20(18)27-25(28)33-15-14-17-8-3-2-4-9-17/h2-6,8-10,12H,7,11,13-16H2,1H3,(H,26,29)