methyl 4-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-oxo-1H-quinazolin-2-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-keto-1H-quinazolin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C17H14N2O3S/c1-22-16(21)12-8-6-11(7-9-12)10-23-17-18-14-5-3-2-4-13(14)15(20)19-17/h2-9H,10H2,1H3,(H,18,19,20)