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

Systemtic Name: methyl 4-[(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(3-methyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(3-methyl-4-oxo-2-quinazolinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-keto-3-methyl-quinazolin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H16N2O3S/c1-20-16(21)14-5-3-4-6-15(14)19-18(20)24-11-12-7-9-13(10-8-12)17(22)23-2/h3-10H,11H2,1-2H3