tert-butyl 2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]acetic acid tert-butyl ester Formula: C18H23ClN2O3S MolecularWeight: 382.90482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)OC(C)(C)C

InChI

InChI=1S/C18H23ClN2O3S/c1-11(2)9-21-16(23)13-8-12(19)6-7-14(13)20-17(21)25-10-15(22)24-18(3,4)5/h6-8,11H,9-10H2,1-5H3