methyl 2-(3-sulfanylidene-4H-1,4-benzothiazin-2-yl)propanoate

Systemtic Name: methyl 2-(3-sulfanylidene-4H-1,4-benzothiazin-2-yl)propanoate Openeye Name: methyl 2-(3-thioxo-4H-1,4-benzothiazin-2-yl)propanoate CAS Name: 2-(3-sulfanylidene-4H-1,4-benzothiazin-2-yl)propanoic acid methyl ester IUPAC Name: methyl 2-(3-sulfanylidene-4H-1,4-benzothiazin-2-yl)propanoate Traditional Name: 2-(3-thioxo-4H-1,4-benzothiazin-2-yl)propionic acid methyl ester Formula: C12H13NO2S2 MolecularWeight: 267.36712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(=S)NC2=CC=CC=C2S1)C(=O)OC

Isomeric SMILES

CC(C1C(=S)NC2=CC=CC=C2S1)C(=O)OC

InChI

InChI=1S/C12H13NO2S2/c1-7(12(14)15-2)10-11(16)13-8-5-3-4-6-9(8)17-10/h3-7,10H,1-2H3,(H,13,16)