5-(ethanethioylamino)-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 5-(ethanethioylamino)-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 5-(ethanethioylamino)-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-5-(1-sulfanylideneethylamino)benzoic acid IUPAC Name: 5-(ethanethioylamino)-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 2-(3-hydroxy-6-keto-xanthen-9-yl)-5-(thioacetylamino)benzoic acid Formula: C22H15NO5S MolecularWeight: 405.4232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

Isomeric SMILES

CC(=S)NC1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

InChI

InChI=1S/C22H15NO5S/c1-11(29)23-12-2-5-15(18(8-12)22(26)27)21-16-6-3-13(24)9-19(16)28-20-10-14(25)4-7-17(20)21/h2-10,24H,1H3,(H,23,29)(H,26,27)