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

Systemtic Name: tert-butyl 2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoate Openeye Name: tert-butyl 2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]acetic acid tert-butyl ester Formula: C17H21ClN2O3S MolecularWeight: 368.87824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)OC(C)(C)C

InChI

InChI=1S/C17H21ClN2O3S/c1-10(2)20-15(22)12-7-6-11(18)8-13(12)19-16(20)24-9-14(21)23-17(3,4)5/h6-8,10H,9H2,1-5H3