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

Systemtic Name: ethyl 2-[6-bromanyl-2-[4-(phenylcarbonyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-benzoylbenzoyl)imino-6-bromo-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-benzoylphenyl)-oxomethyl]imino-6-bromo-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-benzoylbenzoyl)imino-6-bromo-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-benzoylbenzoyl)imino-6-bromo-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H19BrN2O4S MolecularWeight: 523.39836

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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)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H19BrN2O4S/c1-2-32-22(29)15-28-20-13-12-19(26)14-21(20)33-25(28)27-24(31)18-10-8-17(9-11-18)23(30)16-6-4-3-5-7-16/h3-14H,2,15H2,1H3