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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

InChI

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