methyl 2-[2-(2-iodanylphenyl)carbonylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2-iodanylphenyl)carbonylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-iodobenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(2-iodophenyl)-oxomethyl]imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-iodobenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2-iodobenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H17IN2O5S MolecularWeight: 512.31815

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC=CC=C3I)S2)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC=CC=C3I)S2)CC(=O)OC)OC

InChI

InChI=1S/C19H17IN2O5S/c1-25-14-8-13-16(9-15(14)26-2)28-19(22(13)10-17(23)27-3)21-18(24)11-6-4-5-7-12(11)20/h4-9H,10H2,1-3H3