methyl 2-[6-bromanyl-2-(2-phenylquinolin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-bromanyl-2-(2-phenylquinolin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[oxo-(2-phenyl-4-quinolinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C26H18BrN3O3S MolecularWeight: 532.40842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H18BrN3O3S/c1-33-24(31)15-30-22-12-11-17(27)13-23(22)34-26(30)29-25(32)19-14-21(16-7-3-2-4-8-16)28-20-10-6-5-9-18(19)20/h2-14H,15H2,1H3