methyl 3-methyl-2-(2-phenylquinolin-4-yl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-methyl-2-(2-phenylquinolin-4-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-methyl-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[oxo-(2-phenyl-4-quinolinyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C26H19N3O3S MolecularWeight: 453.51236

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H19N3O3S/c1-29-22-13-12-17(25(31)32-2)14-23(22)33-26(29)28-24(30)19-15-21(16-8-4-3-5-9-16)27-20-11-7-6-10-18(19)20/h3-15H,1-2H3