3-[(6-azanyl-3-oxidanylidene-4H-1,4-benzothiazin-7-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(6-azanyl-3-oxidanylidene-4H-1,4-benzothiazin-7-yl)sulfanyl]propanoic acid Openeye Name: 3-[(6-amino-3-oxo-4H-1,4-benzothiazin-7-yl)sulfanyl]propanoic acid CAS Name: 3-[(6-amino-3-oxo-4H-1,4-benzothiazin-7-yl)thio]propanoic acid IUPAC Name: 3-[(6-amino-3-oxo-4H-1,4-benzothiazin-7-yl)sulfanyl]propanoic acid Traditional Name: 3-[(6-amino-3-keto-4H-1,4-benzothiazin-7-yl)thio]propionic acid Formula: C11H12N2O3S2 MolecularWeight: 284.35458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC(=C(C=C2S1)SCCC(=O)O)N

Isomeric SMILES

C1C(=O)NC2=CC(=C(C=C2S1)SCCC(=O)O)N

InChI

InChI=1S/C11H12N2O3S2/c12-6-3-7-9(18-5-10(14)13-7)4-8(6)17-2-1-11(15)16/h3-4H,1-2,5,12H2,(H,13,14)(H,15,16)