2-azanyl-3-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-keto-ethyl]thio]propionic acid Formula: C13H16N2O3S2 MolecularWeight: 312.40774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N1C(=O)CSCC(C(=O)O)N

Isomeric SMILES

C1CSC2=CC=CC=C2N1C(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C13H16N2O3S2/c14-9(13(17)18)7-19-8-12(16)15-5-6-20-11-4-2-1-3-10(11)15/h1-4,9H,5-8,14H2,(H,17,18)