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

Systemtic Name: tert-butyl 2-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[7-chloro-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-chloro-4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[7-chloro-4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-chloro-4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]acetic acid tert-butyl ester Formula: C19H23ClN2O4S MolecularWeight: 410.91492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3CCCO3

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3CCCO3

InChI

InChI=1S/C19H23ClN2O4S/c1-19(2,3)26-16(23)11-27-18-21-15-9-12(20)6-7-14(15)17(24)22(18)10-13-5-4-8-25-13/h6-7,9,13H,4-5,8,10-11H2,1-3H3