methyl 4-([1]benzothiolo[2,3-d]pyrimidin-2-yl)cyclohexane-1-carboxylate

Systemtic Name: methyl 4-([1]benzothiolo[2,3-d]pyrimidin-2-yl)cyclohexane-1-carboxylate Openeye Name: methyl 4-(benzothiopheno[2,3-d]pyrimidin-2-yl)cyclohexanecarboxylate CAS Name: 4-([1]benzothiolo[2,3-d]pyrimidin-2-yl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-([1]benzothiolo[2,3-d]pyrimidin-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-(benzothiopheno[2,3-d]pyrimidin-2-yl)cyclohexanecarboxylic acid methyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)C2=NC=C3C4=CC=CC=C4SC3=N2

Isomeric SMILES

COC(=O)C1CCC(CC1)C2=NC=C3C4=CC=CC=C4SC3=N2

InChI

InChI=1S/C18H18N2O2S/c1-22-18(21)12-8-6-11(7-9-12)16-19-10-14-13-4-2-3-5-15(13)23-17(14)20-16/h2-5,10-12H,6-9H2,1H3