tert-butyl 2-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate Openeye Name: tert-butyl 2-(7-chloro-3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(7-chloro-3-cyclohexyl-4-oxo-2-quinazolinyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(7-chloro-3-cyclohexyl-4-keto-quinazolin-2-yl)thio]acetic acid tert-butyl ester Formula: C20H25ClN2O3S MolecularWeight: 408.9421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3CCCCC3

InChI

InChI=1S/C20H25ClN2O3S/c1-20(2,3)26-17(24)12-27-19-22-16-11-13(21)9-10-15(16)18(25)23(19)14-7-5-4-6-8-14/h9-11,14H,4-8,12H2,1-3H3