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

Systemtic Name: methyl 2-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H15N3O3S2 MolecularWeight: 445.5135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15N3O3S2/c1-29-22(28)13-8-9-17-20(11-13)31-23(25-17)26-21(27)15-12-18(19-7-4-10-30-19)24-16-6-3-2-5-14(15)16/h2-12H,1H3,(H,25,26,27)