ethyl 2-[6-acetamido-2-(2-iodanylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-acetamido-2-(2-iodanylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-acetamido-2-(2-iodobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[(2-iodophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-acetamido-2-(2-iodobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(2-iodobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H18IN3O4S MolecularWeight: 523.34409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18IN3O4S/c1-3-28-18(26)11-24-16-9-8-13(22-12(2)25)10-17(16)29-20(24)23-19(27)14-6-4-5-7-15(14)21/h4-10H,3,11H2,1-2H3,(H,22,25)