4-oxidanylidene-2-(2-oxidanylideneoxolan-3-yl)sulfanyl-3-(phenylmethyl)quinazoline-7-carboxylic acid

Systemtic Name: 4-oxidanylidene-2-(2-oxidanylideneoxolan-3-yl)sulfanyl-3-(phenylmethyl)quinazoline-7-carboxylic acid Openeye Name: 3-benzyl-4-oxo-2-(2-oxotetrahydrofuran-3-yl)sulfanyl-quinazoline-7-carboxylic acid CAS Name: 4-oxo-2-[(2-oxo-3-oxolanyl)thio]-3-(phenylmethyl)-7-quinazolinecarboxylic acid IUPAC Name: 3-benzyl-4-oxo-2-(2-oxooxolan-3-yl)sulfanylquinazoline-7-carboxylic acid Traditional Name: 3-benzyl-4-keto-2-[(2-ketotetrahydrofuran-3-yl)thio]quinazoline-7-carboxylic acid Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1SC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C1COC(=O)C1SC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C20H16N2O5S/c23-17-14-7-6-13(18(24)25)10-15(14)21-20(28-16-8-9-27-19(16)26)22(17)11-12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2,(H,24,25)