propan-2-yl 4-[(4-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: propan-2-yl 4-[(4-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: isopropyl 4-[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-keto-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid isopropyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)CCC3

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)CCC3

InChI

InChI=1S/C18H20N2O3S/c1-11(2)23-17(22)13-8-6-12(7-9-13)10-24-18-19-15-5-3-4-14(15)16(21)20-18/h6-9,11H,3-5,10H2,1-2H3,(H,19,20,21)