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

Systemtic Name: tert-butyl 2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoate Openeye Name: tert-butyl 2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetic acid tert-butyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)OC(C)(C)C

InChI

InChI=1S/C17H22N2O3S/c1-11(2)19-15(21)12-8-6-7-9-13(12)18-16(19)23-10-14(20)22-17(3,4)5/h6-9,11H,10H2,1-5H3