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

Systemtic Name: methyl 2-[6-nitro-2-(2-thiophen-2-ylquinolin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-nitro-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-nitro-2-[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-nitro-2-(2-thiophen-2-ylquinoline-4-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-nitro-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C24H16N4O5S2 MolecularWeight: 504.53764

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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=CS5

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C24H16N4O5S2/c1-33-22(29)13-27-19-9-8-14(28(31)32)11-21(19)35-24(27)26-23(30)16-12-18(20-7-4-10-34-20)25-17-6-3-2-5-15(16)17/h2-12H,13H2,1H3