[2-[6-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-3-carboxy-5-oxidanyl-3,4-dihydro-2H-1,4-benzothiazin-8-yl]-2-oxidanyl-ethyl]azanium

Systemtic Name: [2-[6-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-3-carboxy-5-oxidanyl-3,4-dihydro-2H-1,4-benzothiazin-8-yl]-2-oxidanyl-ethyl]azanium Openeye Name: [2-[6-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazin-8-yl]-2-hydroxy-ethyl]ammonium CAS Name: [2-[6-[(2-amino-3-hydroxy-3-oxopropyl)thio]-3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazin-8-yl]-2-hydroxyethyl]ammonium IUPAC Name: [2-[6-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazin-8-yl]-2-hydroxyethyl]azanium Traditional Name: [2-[6-[(2-amino-3-hydroxy-3-keto-propyl)thio]-3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazin-8-yl]-2-hydroxy-ethyl]ammonium Formula: C14H20N3O6S2+ MolecularWeight: 390.4551

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=C(S1)C(=CC(=C2O)SCC(C(=O)O)N)C(C[NH3+])O)C(=O)O

Isomeric SMILES

C1C(NC2=C(S1)C(=CC(=C2O)SCC(C(=O)O)N)C(C[NH3+])O)C(=O)O

InChI

InChI=1S/C14H19N3O6S2/c15-2-8(18)5-1-9(24-3-6(16)13(20)21)11(19)10-12(5)25-4-7(17-10)14(22)23/h1,6-8,17-19H,2-4,15-16H2,(H,20,21)(H,22,23)/p+1