2-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thio]benzoic acid IUPAC Name: 2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]thio]benzoic acid Formula: C17H13NO5S MolecularWeight: 343.35382

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H13NO5S/c19-13(9-24-15-4-2-1-3-11(15)17(21)22)10-5-6-14-12(7-10)18-16(20)8-23-14/h1-7H,8-9H2,(H,18,20)(H,21,22)