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

Systemtic Name: methyl 3-ethyl-2-(2-phenylquinolin-4-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-ethyl-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[oxo-(2-phenyl-4-quinolinyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C27H21N3O3S MolecularWeight: 467.53894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21N3O3S/c1-3-30-23-14-13-18(26(32)33-2)15-24(23)34-27(30)29-25(31)20-16-22(17-9-5-4-6-10-17)28-21-12-8-7-11-19(20)21/h4-16H,3H2,1-2H3