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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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