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

Systemtic Name: 2-[3-chloranyl-4-(2-dimethylaminoethyloxy)-5-ethoxy-phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[3-chloro-4-(2-dimethylaminoethyloxy)-5-ethoxy-phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[3-chloro-4-(2-dimethylaminoethyloxy)-5-ethoxyphenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[3-chloro-4-(2-dimethylaminoethyloxy)-5-ethoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[3-chloro-4-(2-dimethylaminoethyloxy)-5-ethoxy-phenyl]-4-methyl-thiazole-5-carboxylic acid Formula: C17H21ClN2O4S MolecularWeight: 384.87764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2=NC(=C(S2)C(=O)O)C)Cl)OCCN(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2=NC(=C(S2)C(=O)O)C)Cl)OCCN(C)C

InChI

InChI=1S/C17H21ClN2O4S/c1-5-23-13-9-11(16-19-10(2)15(25-16)17(21)22)8-12(18)14(13)24-7-6-20(3)4/h8-9H,5-7H2,1-4H3,(H,21,22)