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

Systemtic Name: tert-butyl 2-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[(4-keto-3-p-phenetyl-quinazolin-2-yl)thio]acetic acid tert-butyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC(C)(C)C

InChI

InChI=1S/C22H24N2O4S/c1-5-27-16-12-10-15(11-13-16)24-20(26)17-8-6-7-9-18(17)23-21(24)29-14-19(25)28-22(2,3)4/h6-13H,5,14H2,1-4H3