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

Systemtic Name: 2-[3-chloranyl-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[3-chloro-5-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[3-chloro-5-methoxy-4-(2-pyrrolidinoethoxy)phenyl]-4-methyl-thiazole-5-carboxylic acid Formula: C18H21ClN2O4S MolecularWeight: 396.88834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O4S/c1-11-16(18(22)23)26-17(20-11)12-9-13(19)15(14(10-12)24-2)25-8-7-21-5-3-4-6-21/h9-10H,3-8H2,1-2H3,(H,22,23)