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

Systemtic Name: cyclohexyl 2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]ethanoate Openeye Name: cyclohexyl 2-(2-benzylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetate CAS Name: 2-[4-oxo-2-(phenylmethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(2-benzylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetate Traditional Name: 2-[2-(benzylthio)-4-keto-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetic acid cyclohexyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CN2C(=O)C3=C(CCC3)N=C2SCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)OC(=O)CN2C(=O)C3=C(CCC3)N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C22H26N2O3S/c25-20(27-17-10-5-2-6-11-17)14-24-21(26)18-12-7-13-19(18)23-22(24)28-15-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2