8-(2-azanyl-1-oxidanyl-ethyl)-6,7-bis[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl]-5-oxidanyl-3,4-dihydro-2H-1,4-benzothiazine-3-carboxylic acid

Systemtic Name: 8-(2-azanyl-1-oxidanyl-ethyl)-6,7-bis[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl]-5-oxidanyl-3,4-dihydro-2H-1,4-benzothiazine-3-carboxylic acid Openeye Name: 8-(2-amino-1-hydroxy-ethyl)-6,7-bis[(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl]-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-3-carboxylic acid CAS Name: 8-(2-amino-1-hydroxyethyl)-6,7-bis[(2-amino-3-hydroxy-3-oxopropyl)thio]-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-3-carboxylic acid IUPAC Name: 8-(2-amino-1-hydroxyethyl)-6,7-bis[(2-amino-3-hydroxy-3-oxopropyl)sulfanyl]-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-3-carboxylic acid Traditional Name: 8-(2-amino-1-hydroxy-ethyl)-6,7-bis[(2-amino-3-hydroxy-3-keto-propyl)thio]-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-3-carboxylic acid Formula: C17H24N4O8S3 MolecularWeight: 508.58946

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=C(C(=C(C(=C2S1)C(CN)O)SCC(C(=O)O)N)SCC(C(=O)O)N)O)C(=O)O

Isomeric SMILES

C1C(NC2=C(C(=C(C(=C2S1)C(CN)O)SCC(C(=O)O)N)SCC(C(=O)O)N)O)C(=O)O

InChI

InChI=1S/C17H24N4O8S3/c18-1-8(22)9-12-10(21-7(4-32-12)17(28)29)11(23)14(31-3-6(20)16(26)27)13(9)30-2-5(19)15(24)25/h5-8,21-23H,1-4,18-20H2,(H,24,25)(H,26,27)(H,28,29)