1-[1-benzothiophen-3-yl-(5-chloranyl-2-ethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(5-chloranyl-2-ethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(5-chloro-2-ethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(5-chloro-2-ethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(5-chloro-2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(5-chloro-2-ethoxy-phenyl)methyl]proline Formula: C22H22ClNO3S MolecularWeight: 415.93298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O

InChI

InChI=1S/C22H22ClNO3S/c1-2-27-19-10-9-14(23)12-16(19)21(24-11-5-7-18(24)22(25)26)17-13-28-20-8-4-3-6-15(17)20/h3-4,6,8-10,12-13,18,21H,2,5,7,11H2,1H3,(H,25,26)