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

Systemtic Name: methyl 2-(2-phenoxyethanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2-phenoxyacetyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-(1-oxo-2-phenoxyethyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-phenoxyacetyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-phenoxyacetyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H16N2O4S MolecularWeight: 380.41704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)COC3=CC=CC=C3)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)COC3=CC=CC=C3)S2)CC#C

InChI

InChI=1S/C20H16N2O4S/c1-3-11-22-16-10-9-14(19(24)25-2)12-17(16)27-20(22)21-18(23)13-26-15-7-5-4-6-8-15/h1,4-10,12H,11,13H2,2H3