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

Systemtic Name: ethyl 4-[(4-oxidanylidene-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)methyl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3S/c1-2-30-24(29)20-13-11-19(12-14-20)17-27-23(28)21-9-6-10-22(21)26-25(27)31-16-15-18-7-4-3-5-8-18/h3-5,7-8,11-14H,2,6,9-10,15-17H2,1H3