methyl 2-(2-phenylethanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(2-phenylethanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2-phenylacetyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-(1-oxo-2-phenylethyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-phenylacetyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-phenylacetyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=CC=C3)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=CC=C3)S2)CC#C

InChI

InChI=1S/C20H16N2O3S/c1-3-11-22-16-10-9-15(19(24)25-2)13-17(16)26-20(22)21-18(23)12-14-7-5-4-6-8-14/h1,4-10,13H,11-12H2,2H3