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

Systemtic Name: methyl 4-[(2-methylsulfanyl-4-oxidanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)methyl]benzoate Openeye Name: methyl 4-[(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)methyl]benzoate CAS Name: 4-[[2-(methylthio)-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 4-[[4-keto-2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]methyl]benzoic acid methyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(CCC3)N=C2SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(CCC3)N=C2SC

InChI

InChI=1S/C17H18N2O3S/c1-22-16(21)12-8-6-11(7-9-12)10-19-15(20)13-4-3-5-14(13)18-17(19)23-2/h6-9H,3-5,10H2,1-2H3