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

Systemtic Name: [4-(1,3-benzothiazol-2-yl)-2-ethoxy-6-iodanyl-phenyl] ethanoate Openeye Name: [4-(1,3-benzothiazol-2-yl)-2-ethoxy-6-iodo-phenyl] acetate CAS Name: acetic acid [4-(1,3-benzothiazol-2-yl)-2-ethoxy-6-iodophenyl] ester IUPAC Name: [4-(1,3-benzothiazol-2-yl)-2-ethoxy-6-iodophenyl] acetate Traditional Name: acetic acid [4-(1,3-benzothiazol-2-yl)-2-ethoxy-6-iodo-phenyl] ester Formula: C17H14INO3S MolecularWeight: 439.26743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14INO3S/c1-3-21-14-9-11(8-12(18)16(14)22-10(2)20)17-19-13-6-4-5-7-15(13)23-17/h4-9H,3H2,1-2H3