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

Systemtic Name: 2-[5-chloranyl-2-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[5-chloro-2-[2-(1-piperidyl)ethoxy]phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[5-chloro-2-[2-(1-piperidinyl)ethoxy]phenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[5-chloro-2-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[5-chloro-2-(2-piperidinoethoxy)phenyl]-4-methyl-thiazole-5-carboxylic acid Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=C(C=CC(=C2)Cl)OCCN3CCCCC3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=C(C=CC(=C2)Cl)OCCN3CCCCC3)C(=O)O

InChI

InChI=1S/C18H21ClN2O3S/c1-12-16(18(22)23)25-17(20-12)14-11-13(19)5-6-15(14)24-10-9-21-7-3-2-4-8-21/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)