phenyl 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethanesulfonate

Systemtic Name: phenyl 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethanesulfonate Openeye Name: phenyl 2-[2-(2-furyl)quinazolin-4-yl]sulfanylethanesulfonate CAS Name: 2-[[2-(2-furanyl)-4-quinazolinyl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethanesulfonate Traditional Name: 2-[[2-(2-furyl)quinazolin-4-yl]thio]ethanesulfonic acid phenyl ester Formula: C20H16N2O4S2 MolecularWeight: 412.48204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC(=NC3=CC=CC=C32)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC(=NC3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C20H16N2O4S2/c23-28(24,26-15-7-2-1-3-8-15)14-13-27-20-16-9-4-5-10-17(16)21-19(22-20)18-11-6-12-25-18/h1-12H,13-14H2