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

Systemtic Name: 2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: 2-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]acetate IUPAC Name: 2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]acetate Formula: C16H10ClN2O3S- MolecularWeight: 345.7802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)[O-])C3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)[O-])C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H11ClN2O3S/c17-10-4-3-5-11(8-10)19-15(22)12-6-1-2-7-13(12)18-16(19)23-9-14(20)21/h1-8H,9H2,(H,20,21)/p-1