methyl 4-[[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[(3-isoamyl-4-keto-quinazolin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H24N2O3S/c1-15(2)12-13-24-20(25)18-6-4-5-7-19(18)23-22(24)28-14-16-8-10-17(11-9-16)21(26)27-3/h4-11,15H,12-14H2,1-3H3