2-(3-chloranyl-5-ethoxy-4-hexoxy-phenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: 2-(3-chloranyl-5-ethoxy-4-hexoxy-phenyl)-1,3-thiazole-4-carboxylate Openeye Name: 2-(3-chloro-5-ethoxy-4-hexoxy-phenyl)thiazole-4-carboxylate CAS Name: 2-(3-chloro-5-ethoxy-4-hexoxyphenyl)-4-thiazolecarboxylate IUPAC Name: 2-(3-chloro-5-ethoxy-4-hexoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3-chloro-5-ethoxy-4-hexoxy-phenyl)thiazole-4-carboxylate Formula: C18H21ClNO4S- MolecularWeight: 382.88164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Cl)C2=NC(=CS2)C(=O)[O-])OCC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Cl)C2=NC(=CS2)C(=O)[O-])OCC

InChI

InChI=1S/C18H22ClNO4S/c1-3-5-6-7-8-24-16-13(19)9-12(10-15(16)23-4-2)17-20-14(11-25-17)18(21)22/h9-11H,3-8H2,1-2H3,(H,21,22)/p-1