ethyl 2-[6-bromanyl-2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-bromanyl-2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-bromo-2-[2-(4-isopropylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[1-oxo-2-(4-propan-2-ylsulfonylphenyl)ethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-2-[2-(4-propan-2-ylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[2-(4-isopropylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H23BrN2O5S2 MolecularWeight: 539.46242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C(C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C22H23BrN2O5S2/c1-4-30-21(27)13-25-18-10-7-16(23)12-19(18)31-22(25)24-20(26)11-15-5-8-17(9-6-15)32(28,29)14(2)3/h5-10,12,14H,4,11,13H2,1-3H3