ethyl 2-[5,7-dimethyl-2-[2-(4-methylsulfonylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5,7-dimethyl-2-[2-(4-methylsulfonylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5,7-dimethyl-2-[2-(4-methylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,7-dimethyl-2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5,7-dimethyl-2-[2-(4-methylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(4-mesylphenyl)acetyl]imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C)C)C

Isomeric SMILES

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C)C)C

InChI

InChI=1S/C22H24N2O5S2/c1-5-29-20(26)13-24-18-11-14(2)10-15(3)21(18)30-22(24)23-19(25)12-16-6-8-17(9-7-16)31(4,27)28/h6-11H,5,12-13H2,1-4H3