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

Systemtic Name: methyl 2-[(2-phenylquinolin-4-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(2-phenylquinoline-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-phenylquinoline-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2-phenylquinoline-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C25H17N3O3S MolecularWeight: 439.48578

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H17N3O3S/c1-31-24(30)16-11-12-20-22(13-16)32-25(27-20)28-23(29)18-14-21(15-7-3-2-4-8-15)26-19-10-6-5-9-17(18)19/h2-14H,1H3,(H,27,28,29)