2-[(E)-3-ethoxybut-2-enyl]-5,6-dimethoxy-3-(2-naphthalen-1-yloxyethyl)-2H-1,3-benzothiazole iodide

Systemtic Name: 2-[(E)-3-ethoxybut-2-enyl]-5,6-dimethoxy-3-(2-naphthalen-1-yloxyethyl)-2H-1,3-benzothiazole iodide Openeye Name: 2-[(E)-3-ethoxybut-2-enyl]-5,6-dimethoxy-3-[2-(1-naphthyloxy)ethyl]-2H-1,3-benzothiazole iodide CAS Name: 2-[(E)-3-ethoxybut-2-enyl]-5,6-dimethoxy-3-[2-(1-naphthalenyloxy)ethyl]-2H-1,3-benzothiazole iodide IUPAC Name: 2-[(E)-3-ethoxybut-2-enyl]-5,6-dimethoxy-3-(2-naphthalen-1-yloxyethyl)-2H-1,3-benzothiazole iodide Traditional Name: 2-[(E)-3-ethoxybut-2-enyl]-5,6-dimethoxy-3-[2-(1-naphthoxy)ethyl]-2H-1,3-benzothiazole iodide Formula: C27H31INO4S- MolecularWeight: 592.50881

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CCC1N(C2=CC(=C(C=C2S1)OC)OC)CCOC3=CC=CC4=CC=CC=C43)C.[I-]

Isomeric SMILES

CCO/C(=C/CC1N(C2=CC(=C(C=C2S1)OC)OC)CCOC3=CC=CC4=CC=CC=C43)/C.[I-]

InChI

InChI=1S/C27H31NO4S.HI/c1-5-31-19(2)13-14-27-28(22-17-24(29-3)25(30-4)18-26(22)33-27)15-16-32-23-12-8-10-20-9-6-7-11-21(20)23;/h6-13,17-18,27H,5,14-16H2,1-4H3;1H/p-1/b19-13+;