ethyl 3-[2-(2-phenylquinolin-4-yl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(2-phenylquinolin-4-yl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(2-phenylquinoline-4-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[oxo-(2-phenyl-4-quinolinyl)methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2-phenylquinoline-4-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2-phenylquinoline-4-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C28H24N4O5S2 MolecularWeight: 560.64396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H24N4O5S2/c1-2-37-26(33)14-15-32-24-13-12-19(39(29,35)36)16-25(24)38-28(32)31-27(34)21-17-23(18-8-4-3-5-9-18)30-22-11-7-6-10-20(21)22/h3-13,16-17H,2,14-15H2,1H3,(H2,29,35,36)