ethylsulfanylethane; 3-methyl-4H-1,4-benzothiazine-2-carboxylic acid

Systemtic Name: ethylsulfanylethane; 3-methyl-4H-1,4-benzothiazine-2-carboxylic acid Openeye Name: ethylsulfanylethane; 3-methyl-4H-1,4-benzothiazine-2-carboxylic acid CAS Name: (ethylthio)ethane; 3-methyl-4H-1,4-benzothiazine-2-carboxylic acid IUPAC Name: ethylsulfanylethane; 3-methyl-4H-1,4-benzothiazine-2-carboxylic acid Traditional Name: (ethylthio)ethane; 3-methyl-4H-1,4-benzothiazine-2-carboxylic acid Formula: C14H19NO2S2 MolecularWeight: 297.43616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCC.CC1=C(SC2=CC=CC=C2N1)C(=O)O

Isomeric SMILES

CCSCC.CC1=C(SC2=CC=CC=C2N1)C(=O)O

InChI

InChI=1S/C10H9NO2S.C4H10S/c1-6-9(10(12)13)14-8-5-3-2-4-7(8)11-6;1-3-5-4-2/h2-5,11H,1H3,(H,12,13);3-4H2,1-2H3