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

Systemtic Name: methyl 4-[[4-oxidanylidene-2-(phenylmethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]methyl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3S/c1-28-22(27)18-12-10-16(11-13-18)14-25-21(26)19-8-5-9-20(19)24-23(25)29-15-17-6-3-2-4-7-17/h2-4,6-7,10-13H,5,8-9,14-15H2,1H3