2-methyl-3-oxidanylidene-4-propyl-1,4-benzothiazine-2-carboxylic acid

Systemtic Name: 2-methyl-3-oxidanylidene-4-propyl-1,4-benzothiazine-2-carboxylic acid Openeye Name: 2-methyl-3-oxo-4-propyl-1,4-benzothiazine-2-carboxylic acid CAS Name: 2-methyl-3-oxo-4-propyl-1,4-benzothiazine-2-carboxylic acid IUPAC Name: 2-methyl-3-oxo-4-propyl-1,4-benzothiazine-2-carboxylic acid Traditional Name: 3-keto-2-methyl-4-propyl-1,4-benzothiazine-2-carboxylic acid Formula: C13H15NO3S MolecularWeight: 265.3281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2SC(C1=O)(C)C(=O)O

Isomeric SMILES

CCCN1C2=CC=CC=C2SC(C1=O)(C)C(=O)O

InChI

InChI=1S/C13H15NO3S/c1-3-8-14-9-6-4-5-7-10(9)18-13(2,11(14)15)12(16)17/h4-7H,3,8H2,1-2H3,(H,16,17)