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

Systemtic Name: methyl 3-[2-(2-phenylquinolin-4-yl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C27H22N4O5S2 MolecularWeight: 546.61738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=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

COC(=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/C27H22N4O5S2/c1-36-25(32)13-14-31-23-12-11-18(38(28,34)35)15-24(23)37-27(31)30-26(33)20-16-22(17-7-3-2-4-8-17)29-21-10-6-5-9-19(20)21/h2-12,15-16H,13-14H2,1H3,(H2,28,34,35)