2-[3-chloranyl-4-(2-diethylaminoethyloxy)-5-ethoxy-phenyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[3-chloranyl-4-(2-diethylaminoethyloxy)-5-ethoxy-phenyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[3-chloro-4-(2-diethylaminoethyloxy)-5-ethoxy-phenyl]thiazole-4-carboxylic acid CAS Name: 2-[3-chloro-4-(2-diethylaminoethyloxy)-5-ethoxyphenyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[3-chloro-4-(2-diethylaminoethyloxy)-5-ethoxyphenyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[3-chloro-4-(2-diethylaminoethyloxy)-5-ethoxy-phenyl]thiazole-4-carboxylic acid Formula: C18H23ClN2O4S MolecularWeight: 398.90422

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C=C(C=C1Cl)C2=NC(=CS2)C(=O)O)OCC

Isomeric SMILES

CCN(CC)CCOC1=C(C=C(C=C1Cl)C2=NC(=CS2)C(=O)O)OCC

InChI

InChI=1S/C18H23ClN2O4S/c1-4-21(5-2)7-8-25-16-13(19)9-12(10-15(16)24-6-3)17-20-14(11-26-17)18(22)23/h9-11H,4-8H2,1-3H3,(H,22,23)