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

Systemtic Name: ethyl 3-[4,7-dimethoxy-2-(2-phenylquinolin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C30H27N3O5S MolecularWeight: 541.61748

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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=CC=C5)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H27N3O5S/c1-4-38-26(34)16-17-33-27-24(36-2)14-15-25(37-3)28(27)39-30(33)32-29(35)21-18-23(19-10-6-5-7-11-19)31-22-13-9-8-12-20(21)22/h5-15,18H,4,16-17H2,1-3H3