5-(ethanethioylamino)-2-(3-oxidanylidenexanthen-9-yl)benzoic acid

Systemtic Name: 5-(ethanethioylamino)-2-(3-oxidanylidenexanthen-9-yl)benzoic acid Openeye Name: 5-(ethanethioylamino)-2-(3-oxoxanthen-9-yl)benzoic acid CAS Name: 2-(3-oxo-9-xanthenyl)-5-(1-sulfanylideneethylamino)benzoic acid IUPAC Name: 5-(ethanethioylamino)-2-(3-oxoxanthen-9-yl)benzoic acid Traditional Name: 2-(3-ketoxanthen-9-yl)-5-(thioacetylamino)benzoic acid Formula: C22H15NO4S MolecularWeight: 389.4238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=CC=CC=C42)C(=O)O

Isomeric SMILES

CC(=S)NC1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C22H15NO4S/c1-12(28)23-13-6-8-15(18(10-13)22(25)26)21-16-4-2-3-5-19(16)27-20-11-14(24)7-9-17(20)21/h2-11H,1H3,(H,23,28)(H,25,26)