methyl 3-(2-ethoxyethyl)-2-(2-iodanylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=CC=C3I

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=CC=C3I

InChI

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