[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: [2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: [2-(2,5-diethylphenyl)-2-oxo-ethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [2-(2,5-diethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethylphenyl)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid [2-(2,5-diethylphenyl)-2-keto-ethyl] ester Formula: C21H21NO4S MolecularWeight: 383.46074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3

InChI

InChI=1S/C21H21NO4S/c1-3-13-5-6-14(4-2)16(9-13)18(23)11-26-21(25)15-7-8-19-17(10-15)22-20(24)12-27-19/h5-10H,3-4,11-12H2,1-2H3,(H,22,24)