ethyl 3-[4,7-dimethoxy-2-(2-thiophen-2-ylquinolin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[4,7-dimethoxy-2-(2-thiophen-2-ylquinolin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[4,7-dimethoxy-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4,7-dimethoxy-2-(2-thiophen-2-ylquinoline-4-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[4,7-dimethoxy-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C28H25N3O5S2 MolecularWeight: 547.6452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)OC)OC

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)OC)OC

InChI

InChI=1S/C28H25N3O5S2/c1-4-36-24(32)13-14-31-25-21(34-2)11-12-22(35-3)26(25)38-28(31)30-27(33)18-16-20(23-10-7-15-37-23)29-19-9-6-5-8-17(18)19/h5-12,15-16H,4,13-14H2,1-3H3