ethyl 2-butanoylimino-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-butanoylimino-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-butanoylimino-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-(1-oxobutylimino)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-butanoylimino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-butyrylimino-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OCC)CC(=O)OCC

Isomeric SMILES

CCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OCC)CC(=O)OCC

InChI

InChI=1S/C18H22N2O5S/c1-4-7-15(21)19-18-20(11-16(22)24-5-2)13-9-8-12(10-14(13)26-18)17(23)25-6-3/h8-10H,4-7,11H2,1-3H3