ethyl 2-[6-bromanyl-2-(2-methylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-bromanyl-2-(2-methylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-bromo-2-(2-methylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[(2-methylsulfonylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-2-(2-methylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-(2-mesylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C19H17BrN2O5S2 MolecularWeight: 497.38268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C19H17BrN2O5S2/c1-3-27-17(23)11-22-14-9-8-12(20)10-15(14)28-19(22)21-18(24)13-6-4-5-7-16(13)29(2,25)26/h4-10H,3,11H2,1-2H3