5-(2,3-dihydro-1,4-benzothiazin-4-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(2,3-dihydro-1,4-benzothiazin-4-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2,3-dihydro-1,4-benzothiazin-4-yl)-5-oxo-pentanoic acid CAS Name: 5-(2,3-dihydro-1,4-benzothiazin-4-yl)-5-oxopentanoic acid IUPAC Name: 5-(2,3-dihydro-1,4-benzothiazin-4-yl)-5-oxopentanoic acid Traditional Name: 5-(2,3-dihydro-1,4-benzothiazin-4-yl)-5-keto-valeric acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N1C(=O)CCCC(=O)O

Isomeric SMILES

C1CSC2=CC=CC=C2N1C(=O)CCCC(=O)O

InChI

InChI=1S/C13H15NO3S/c15-12(6-3-7-13(16)17)14-8-9-18-11-5-2-1-4-10(11)14/h1-2,4-5H,3,6-9H2,(H,16,17)