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

Systemtic Name: ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(2-iodanylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxy-2-oxo-ethyl)-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-[(2-iodophenyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxy-2-oxoethyl)-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H19IN2O5S MolecularWeight: 538.35543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=CC=C3I

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C21H19IN2O5S/c1-3-28-18(25)12-24-16-10-9-13(20(27)29-4-2)11-17(16)30-21(24)23-19(26)14-7-5-6-8-15(14)22/h5-11H,3-4,12H2,1-2H3