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

Systemtic Name: ethyl 2-(2-phenoxyethanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S/c1-3-12-23-17-11-10-15(20(25)26-4-2)13-18(17)28-21(23)22-19(24)14-27-16-8-6-5-7-9-16/h1,5-11,13H,4,12,14H2,2H3