tert-butyl 2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]acetic acid tert-butyl ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN2O3S/c1-20(2,3)26-17(24)12-27-19-22-16-7-5-4-6-15(16)18(25)23(19)14-10-8-13(21)9-11-14/h4-11H,12H2,1-3H3