(3-cyanophenyl)methyl 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: (3-cyanophenyl)methyl 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: (3-cyanophenyl)methyl 2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetic acid (3-cyanobenzyl) ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C23H23N3O3S/c1-16(2)10-11-26-22(28)19-8-3-4-9-20(19)25-23(26)30-15-21(27)29-14-18-7-5-6-17(12-18)13-24/h3-9,12,16H,10-11,14-15H2,1-2H3