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

Systemtic Name: methyl 3-[(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(3-isopropyl-4-keto-quinazolin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C20H20N2O3S/c1-13(2)22-18(23)16-9-4-5-10-17(16)21-20(22)26-12-14-7-6-8-15(11-14)19(24)25-3/h4-11,13H,12H2,1-3H3