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

Systemtic Name: ethyl 2-[6-bromanyl-2-(4-morpholin-4-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-bromo-2-(4-morpholinosulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-2-(4-morpholin-4-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-(4-morpholinosulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H22BrN3O6S2 MolecularWeight: 568.46058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H22BrN3O6S2/c1-2-32-20(27)14-26-18-8-5-16(23)13-19(18)33-22(26)24-21(28)15-3-6-17(7-4-15)34(29,30)25-9-11-31-12-10-25/h3-8,13H,2,9-12,14H2,1H3