(2E)-8-(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)-8-(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)-8-(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)-8-(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)-8-(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)-8-(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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1CC(C(=O)O)N)SC(=C3C(=O)NC4=C(C=C(C=C4S3)CC(C(=O)O)N)O)C(=N2)C(=O)O)O

Isomeric SMILES

C1=CC(=C2C(=C1CC(C(=O)O)N)S/C(=C/3\C(=O)NC4=C(C=C(C=C4S3)CC(C(=O)O)N)O)/C(=N2)C(=O)O)O

InChI

InChI=1S/C23H20N4O9S2/c24-9(21(31)32)3-7-4-12(29)14-13(5-7)37-19(20(30)27-14)18-16(23(35)36)26-15-11(28)2-1-8(17(15)38-18)6-10(25)22(33)34/h1-2,4-5,9-10,28-29H,3,6,24-25H2,(H,27,30)(H,31,32)(H,33,34)(H,35,36)/b19-18+