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

Systemtic Name: methyl 3-prop-2-ynyl-2-(2-thiophen-2-ylquinolin-4-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-prop-2-ynyl-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-prop-2-ynyl-2-(2-thiophen-2-ylquinoline-4-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-propargyl-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C26H17N3O3S2 MolecularWeight: 483.56148

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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=CS5)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)S2)CC#C

InChI

InChI=1S/C26H17N3O3S2/c1-3-12-29-21-11-10-16(25(31)32-2)14-23(21)34-26(29)28-24(30)18-15-20(22-9-6-13-33-22)27-19-8-5-4-7-17(18)19/h1,4-11,13-15H,12H2,2H3