2-(7-chloranyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoate Openeye Name: 2-(7-chloro-4-oxo-3-phenyl-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(7-chloro-4-oxo-3-phenyl-2-quinazolinyl)thio]acetate IUPAC Name: 2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(7-chloro-4-keto-3-phenyl-quinazolin-2-yl)thio]acetate Formula: C16H10ClN2O3S- MolecularWeight: 345.7802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)[O-]

InChI

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