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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(CCC3)N=C2SCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(CCC3)N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C24H24N2O3S/c1-2-29-23(28)19-13-11-17(12-14-19)15-26-22(27)20-9-6-10-21(20)25-24(26)30-16-18-7-4-3-5-8-18/h3-5,7-8,11-14H,2,6,9-10,15-16H2,1H3