(4-iodophenyl) 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (4-iodophenyl) 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (4-iodophenyl) 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (4-iodophenyl) ester IUPAC Name: (4-iodophenyl) 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (4-iodophenyl) ester Formula: C16H12INO2S MolecularWeight: 409.24145

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OC3=CC=C(C=C3)I

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OC3=CC=C(C=C3)I

InChI

InChI=1S/C16H12INO2S/c17-11-5-7-12(8-6-11)20-16(19)10-9-15-18-13-3-1-2-4-14(13)21-15/h1-8H,9-10H2