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

Systemtic Name: ethyl 2-(2-iodanylphenyl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2-iodobenzoyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(2-iodophenyl)-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-iodobenzoyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-iodobenzoyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H15IN2O3S MolecularWeight: 490.31417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15IN2O3S/c1-3-11-23-16-10-9-13(19(25)26-4-2)12-17(16)27-20(23)22-18(24)14-7-5-6-8-15(14)21/h1,5-10,12H,4,11H2,2H3