(4-ethoxyphenyl) 2-[3-[(2R)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: (4-ethoxyphenyl) 2-[3-[(2R)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: (4-ethoxyphenyl) 2-[3-[(1R)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[(2R)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]acetic acid (4-ethoxyphenyl) ester IUPAC Name: (4-ethoxyphenyl) 2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-[(1R)-1-methylpropyl]quinazolin-2-yl]thio]acetic acid p-phenetyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)OC3=CC=C(C=C3)OCC

Isomeric SMILES

CC[C@@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)OC3=CC=C(C=C3)OCC

InChI

InChI=1S/C22H24N2O4S/c1-4-15(3)24-21(26)18-8-6-7-9-19(18)23-22(24)29-14-20(25)28-17-12-10-16(11-13-17)27-5-2/h6-13,15H,4-5,14H2,1-3H3/t15-/m1/s1