ethyl 2-[5,7-dimethyl-2-(2-methylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5,7-dimethyl-2-(2-methylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5,7-dimethyl-2-(2-methylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,7-dimethyl-2-[(2-methylsulfonylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5,7-dimethyl-2-(2-methylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2-mesylbenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)C3=CC=CC=C3S(=O)(=O)C)C)C

Isomeric SMILES

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)C3=CC=CC=C3S(=O)(=O)C)C)C

InChI

InChI=1S/C21H22N2O5S2/c1-5-28-18(24)12-23-16-11-13(2)10-14(3)19(16)29-21(23)22-20(25)15-8-6-7-9-17(15)30(4,26)27/h6-11H,5,12H2,1-4H3