ethyl 2-[4-(1,3-benzothiazol-2-yl)-2-ethoxy-6-iodanyl-phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-(1,3-benzothiazol-2-yl)-2-ethoxy-6-iodanyl-phenoxy]ethanoate Openeye Name: ethyl 2-[4-(1,3-benzothiazol-2-yl)-2-ethoxy-6-iodo-phenoxy]acetate CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-2-ethoxy-6-iodophenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3-benzothiazol-2-yl)-2-ethoxy-6-iodophenoxy]acetate Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)-2-ethoxy-6-iodo-phenoxy]acetic acid ethyl ester Formula: C19H18INO4S MolecularWeight: 483.31999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2=NC3=CC=CC=C3S2)I)OCC(=O)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2=NC3=CC=CC=C3S2)I)OCC(=O)OCC

InChI

InChI=1S/C19H18INO4S/c1-3-23-15-10-12(19-21-14-7-5-6-8-16(14)26-19)9-13(20)18(15)25-11-17(22)24-4-2/h5-10H,3-4,11H2,1-2H3