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

Systemtic Name: ethyl 2-(2-iodanylphenyl)carbonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2-iodobenzoyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(2-iodophenyl)-oxomethyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-iodobenzoyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-iodobenzoyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H19IN2O4S MolecularWeight: 510.34533

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3I)S2)CCOC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3I)S2)CCOC

InChI

InChI=1S/C20H19IN2O4S/c1-3-27-19(25)13-8-9-16-17(12-13)28-20(23(16)10-11-26-2)22-18(24)14-6-4-5-7-15(14)21/h4-9,12H,3,10-11H2,1-2H3