ethyl 3-ethyl-2-(2-thiophen-2-ylquinolin-4-yl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-ethyl-2-(2-thiophen-2-ylquinolin-4-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-ethyl-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-(2-thiophen-2-ylquinoline-4-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C26H21N3O3S2 MolecularWeight: 487.59324

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C26H21N3O3S2/c1-3-29-21-12-11-16(25(31)32-4-2)14-23(21)34-26(29)28-24(30)18-15-20(22-10-7-13-33-22)27-19-9-6-5-8-17(18)19/h5-15H,3-4H2,1-2H3