methyl 2-(2-cyclohexylquinazolin-4-yl)sulfanylethanoate

Systemtic Name: methyl 2-(2-cyclohexylquinazolin-4-yl)sulfanylethanoate Openeye Name: methyl 2-(2-cyclohexylquinazolin-4-yl)sulfanylacetate CAS Name: 2-[(2-cyclohexyl-4-quinazolinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-cyclohexylquinazolin-4-yl)sulfanylacetate Traditional Name: 2-[(2-cyclohexylquinazolin-4-yl)thio]acetic acid methyl ester Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=NC2=CC=CC=C21)C3CCCCC3

Isomeric SMILES

COC(=O)CSC1=NC(=NC2=CC=CC=C21)C3CCCCC3

InChI

InChI=1S/C17H20N2O2S/c1-21-15(20)11-22-17-13-9-5-6-10-14(13)18-16(19-17)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3