methyl 2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate Openeye Name: methyl 2-(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]acetic acid methyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

Isomeric SMILES

COC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

InChI

InChI=1S/C17H20N2O3S/c1-22-15(20)11-23-17-18-14-10-6-5-9-13(14)16(21)19(17)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3