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

Systemtic Name: methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(2-iodanylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H17IN2O5S MolecularWeight: 524.32885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17IN2O5S/c1-3-28-17(24)11-23-15-9-8-12(19(26)27-2)10-16(15)29-20(23)22-18(25)13-6-4-5-7-14(13)21/h4-10H,3,11H2,1-2H3