2-[5-chloranyl-2-[3-(dimethylamino)propoxy]phenyl]-4-ethyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[5-chloranyl-2-[3-(dimethylamino)propoxy]phenyl]-4-ethyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]-4-ethyl-thiazole-5-carboxylic acid CAS Name: 2-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]-4-ethyl-5-thiazolecarboxylic acid IUPAC Name: 2-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]-4-ethyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]-4-ethyl-thiazole-5-carboxylic acid Formula: C17H21ClN2O3S MolecularWeight: 368.87824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)C2=C(C=CC(=C2)Cl)OCCCN(C)C)C(=O)O

Isomeric SMILES

CCC1=C(SC(=N1)C2=C(C=CC(=C2)Cl)OCCCN(C)C)C(=O)O

InChI

InChI=1S/C17H21ClN2O3S/c1-4-13-15(17(21)22)24-16(19-13)12-10-11(18)6-7-14(12)23-9-5-8-20(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,21,22)