1-[(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)carbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)carbonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-fluoro-3-methyl-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-fluoro-3-methyl-1-benzothiophen-2-yl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(4-fluoro-3-methyl-benzothiophene-2-carbonyl)proline Formula: C15H14FNO3S MolecularWeight: 307.339963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C15H14FNO3S/c1-8-12-9(16)4-2-6-11(12)21-13(8)14(18)17-7-3-5-10(17)15(19)20/h2,4,6,10H,3,5,7H2,1H3,(H,19,20)