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

Systemtic Name: methyl 2-[6-nitro-2-(2-phenylquinolin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-nitro-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-nitro-2-[oxo-(2-phenyl-4-quinolinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-nitro-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-nitro-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C26H18N4O5S MolecularWeight: 498.50992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H18N4O5S/c1-35-24(31)15-29-22-12-11-17(30(33)34)13-23(22)36-26(29)28-25(32)19-14-21(16-7-3-2-4-8-16)27-20-10-6-5-9-18(19)20/h2-14H,15H2,1H3