N-(3'-methyl-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl)ethanethioamide

Systemtic Name: N-(3'-methyl-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl)ethanethioamide Openeye Name: N-(3'-hydroxy-6'-methyl-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl)thioacetamide CAS Name: N-(3'-hydroxy-6'-methyl-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]yl)ethanethioamide IUPAC Name: N-(3'-hydroxy-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)ethanethioamide Traditional Name: N-(3'-hydroxy-3-keto-6'-methyl-spiro[phthalan-1,9'-xanthene]-5-yl)thioacetamide Formula: C23H17NO4S MolecularWeight: 403.45038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)NC(=S)C)C(=O)O3)C5=C(O2)C=C(C=C5)O

Isomeric SMILES

CC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)NC(=S)C)C(=O)O3)C5=C(O2)C=C(C=C5)O

InChI

InChI=1S/C23H17NO4S/c1-12-3-6-18-20(9-12)27-21-11-15(25)5-8-19(21)23(18)17-7-4-14(24-13(2)29)10-16(17)22(26)28-23/h3-11,25H,1-2H3,(H,24,29)