methyl 3-[4,7-dimethoxy-2-(2-phenylquinolin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[4,7-dimethoxy-2-(2-phenylquinolin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[4,7-dimethoxy-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-[oxo-(2-phenyl-4-quinolinyl)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4,7-dimethoxy-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[4,7-dimethoxy-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C29H25N3O5S MolecularWeight: 527.5909

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)N2CCC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)N2CCC(=O)OC

InChI

InChI=1S/C29H25N3O5S/c1-35-23-13-14-24(36-2)27-26(23)32(16-15-25(33)37-3)29(38-27)31-28(34)20-17-22(18-9-5-4-6-10-18)30-21-12-8-7-11-19(20)21/h4-14,17H,15-16H2,1-3H3