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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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