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

Systemtic Name: tert-butyl 2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate Openeye Name: tert-butyl 2-(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]acetic acid tert-butyl ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

InChI

InChI=1S/C20H26N2O3S/c1-20(2,3)25-17(23)13-26-19-21-16-12-8-7-11-15(16)18(24)22(19)14-9-5-4-6-10-14/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3