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

Systemtic Name: 1-[1-benzothiophen-2-yl-(5-chloranyl-2-ethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(5-chloro-2-ethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(5-chloro-2-ethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(5-chloro-2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-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=CC3=CC=CC=C3S2)N4CCCC4C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)C(C2=CC3=CC=CC=C3S2)N4CCCC4C(=O)O

InChI

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