ethyl 4-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanylmethyl]benzoate

Systemtic Name: ethyl 4-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanylmethyl]benzoate Openeye Name: ethyl 4-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thio]methyl]benzoic acid ethyl ester Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CSC2=NC(=NC3=C2CCC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CSC2=NC(=NC3=C2CCC3)C

InChI

InChI=1S/C18H20N2O2S/c1-3-22-18(21)14-9-7-13(8-10-14)11-23-17-15-5-4-6-16(15)19-12(2)20-17/h7-10H,3-6,11H2,1-2H3