2-[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-quinazolin-1-yl]ethanoic acid

Systemtic Name: 2-[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-quinazolin-1-yl]ethanoic acid Openeye Name: 2-(3-benzyl-4-oxo-2-thioxo-quinazolin-1-yl)acetic acid CAS Name: 2-[4-oxo-3-(phenylmethyl)-2-sulfanylidene-1-quinazolinyl]acetic acid IUPAC Name: 2-(3-benzyl-4-oxo-2-sulfanylidenequinazolin-1-yl)acetic acid Traditional Name: 2-(3-benzyl-4-keto-2-thioxo-quinazolin-1-yl)acetic acid Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N(C2=S)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N(C2=S)CC(=O)O

InChI

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