[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCN2C(=O)CSC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCN2C(=O)CSC3=CC=CC=C32)C

InChI

InChI=1S/C21H22N2O4S/c1-14-9-15(2)11-16(10-14)22-19(24)12-27-21(26)7-8-23-17-5-3-4-6-18(17)28-13-20(23)25/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,22,24)