O-(6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) carbamothioate

Systemtic Name: O-(6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) carbamothioate Openeye Name: O-(6'-hydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl) carbamothioate CAS Name: carbamothioic acid O-[(6'-hydroxy-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl)] ester IUPAC Name: O-(6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) carbamothioate Traditional Name: thiocarbamic acid O-(6'-hydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-3'-yl) ester Formula: C21H13NO5S MolecularWeight: 391.39662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)OC(=S)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)OC(=S)N

InChI

InChI=1S/C21H13NO5S/c22-20(28)25-12-6-8-16-18(10-12)26-17-9-11(23)5-7-15(17)21(16)14-4-2-1-3-13(14)19(24)27-21/h1-10,23H,(H2,22,28)