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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C2=NC(=C(S2)C(=O)[O-])CC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C2=NC(=C(S2)C(=O)[O-])CC)OCC

InChI

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