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

Systemtic Name: 2-[5-chloranyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[5-chloro-2-[2-(1-pyrrolidinyl)ethoxy]phenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[5-chloro-2-(2-pyrrolidinoethoxy)phenyl]-4-methyl-thiazole-5-carboxylic acid Formula: C17H19ClN2O3S MolecularWeight: 366.86236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=C(C=CC(=C2)Cl)OCCN3CCCC3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=C(C=CC(=C2)Cl)OCCN3CCCC3)C(=O)O

InChI

InChI=1S/C17H19ClN2O3S/c1-11-15(17(21)22)24-16(19-11)13-10-12(18)4-5-14(13)23-9-8-20-6-2-3-7-20/h4-5,10H,2-3,6-9H2,1H3,(H,21,22)