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

Systemtic Name: methyl 4-[(4-oxidanylidene-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)methyl]benzoate Openeye Name: methyl 4-[(4-oxo-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)methyl]benzoate CAS Name: 4-[[4-oxo-2-(phenethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-oxo-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 4-[[4-keto-2-(phenethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]methyl]benzoic acid methyl ester Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O3S/c1-29-23(28)19-12-10-18(11-13-19)16-26-22(27)20-8-5-9-21(20)25-24(26)30-15-14-17-6-3-2-4-7-17/h2-4,6-7,10-13H,5,8-9,14-16H2,1H3