4-oxidanylidene-2-[(3R)-2-oxidanylideneoxolan-3-yl]sulfanyl-3-(phenylmethyl)quinazoline-7-carboxylate

Systemtic Name: 4-oxidanylidene-2-[(3R)-2-oxidanylideneoxolan-3-yl]sulfanyl-3-(phenylmethyl)quinazoline-7-carboxylate Openeye Name: 3-benzyl-4-oxo-2-[(3R)-2-oxotetrahydrofuran-3-yl]sulfanyl-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[(3R)-2-oxo-3-oxolanyl]thio]-3-(phenylmethyl)-7-quinazolinecarboxylate IUPAC Name: 3-benzyl-4-oxo-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-benzyl-4-keto-2-[[(3R)-2-ketotetrahydrofuran-3-yl]thio]quinazoline-7-carboxylate Formula: C20H15N2O5S- MolecularWeight: 395.4085

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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)[C@@H]1SC2=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)/p-1/t16-/m1/s1