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

Systemtic Name: methyl 2-(2-phenylquinolin-4-yl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2-phenylquinoline-4-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[oxo-(2-phenyl-4-quinolinyl)methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-phenylquinoline-4-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-phenylquinoline-4-carbonyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C28H19N3O3S MolecularWeight: 477.53376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H19N3O3S/c1-3-15-31-24-14-13-19(27(33)34-2)16-25(24)35-28(31)30-26(32)21-17-23(18-9-5-4-6-10-18)29-22-12-8-7-11-20(21)22/h1,4-14,16-17H,15H2,2H3