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

Systemtic Name: methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-(2-phenylquinolin-4-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methoxy-2-oxo-ethyl)-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-2-[oxo-(2-phenyl-4-quinolinyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxy-2-oxoethyl)-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-keto-2-methoxy-ethyl)-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C28H21N3O5S MolecularWeight: 511.54844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)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/C28H21N3O5S/c1-35-25(32)16-31-23-13-12-18(27(34)36-2)14-24(23)37-28(31)30-26(33)20-15-22(17-8-4-3-5-9-17)29-21-11-7-6-10-19(20)21/h3-15H,16H2,1-2H3