2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoate Openeye Name: 2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetate IUPAC Name: 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]acetate Formula: C17H13N2O3S- MolecularWeight: 325.36172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)[O-]

InChI

InChI=1S/C17H14N2O3S/c20-15(21)11-23-17-18-14-9-5-4-8-13(14)16(22)19(17)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)/p-1