ethyl 2-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[2-(2-thienyl)quinoline-4-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(2-thienyl)quinoline-4-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H17N3O3S2 MolecularWeight: 459.54008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C24H17N3O3S2/c1-2-30-23(29)14-9-10-18-21(12-14)32-24(26-18)27-22(28)16-13-19(20-8-5-11-31-20)25-17-7-4-3-6-15(16)17/h3-13H,2H2,1H3,(H,26,27,28)