tert-butyl 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]acetic acid tert-butyl ester Formula: C19H25ClN2O3S MolecularWeight: 396.9314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)OC(C)(C)C

InChI

InChI=1S/C19H25ClN2O3S/c1-12(2)8-9-22-17(24)14-7-6-13(20)10-15(14)21-18(22)26-11-16(23)25-19(3,4)5/h6-7,10,12H,8-9,11H2,1-5H3