(2E)-7-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2-[7-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-5-oxidanyl-3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene]-5-oxidanyl-1,4-benzothiazine-3-carboxylic acid

Systemtic Name: (2E)-7-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2-[7-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-5-oxidanyl-3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene]-5-oxidanyl-1,4-benzothiazine-3-carboxylic acid Openeye Name: (2E)-7-(2-amino-3-hydroxy-3-oxo-propyl)-2-[7-(2-amino-3-hydroxy-3-oxo-propyl)-5-hydroxy-3-oxo-4H-1,4-benzothiazin-2-ylidene]-5-hydroxy-1,4-benzothiazine-3-carboxylic acid CAS Name: (2E)-7-(2-amino-3-hydroxy-3-oxopropyl)-2-[7-(2-amino-3-hydroxy-3-oxopropyl)-5-hydroxy-3-oxo-4H-1,4-benzothiazin-2-ylidene]-5-hydroxy-1,4-benzothiazine-3-carboxylic acid IUPAC Name: (2E)-7-(2-amino-3-hydroxy-3-oxopropyl)-2-[7-(2-amino-3-hydroxy-3-oxopropyl)-5-hydroxy-3-oxo-4H-1,4-benzothiazin-2-ylidene]-5-hydroxy-1,4-benzothiazine-3-carboxylic acid Traditional Name: (2E)-7-(2-amino-3-hydroxy-3-keto-propyl)-2-[7-(2-amino-3-hydroxy-3-keto-propyl)-5-hydroxy-3-keto-4H-1,4-benzothiazin-2-ylidene]-5-hydroxy-1,4-benzothiazine-3-carboxylic acid Formula: C23H20N4O9S2 MolecularWeight: 560.5563

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1O)NC(=O)C(=C3C(=NC4=C(C=C(C=C4S3)CC(C(=O)O)N)O)C(=O)O)S2)CC(C(=O)O)N

Isomeric SMILES

C1=C(C=C2C(=C1O)NC(=O)/C(=C\3/C(=NC4=C(C=C(C=C4S3)CC(C(=O)O)N)O)C(=O)O)/S2)CC(C(=O)O)N

InChI

InChI=1S/C23H20N4O9S2/c24-9(21(31)32)1-7-3-11(28)15-13(5-7)37-18(17(26-15)23(35)36)19-20(30)27-16-12(29)4-8(6-14(16)38-19)2-10(25)22(33)34/h3-6,9-10,28-29H,1-2,24-25H2,(H,27,30)(H,31,32)(H,33,34)(H,35,36)/b19-18+