1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-chlorobenzothiophene-2-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-chloro-1-benzothiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-(3-chlorobenzothiophene-2-carbonyl)-4-hydroxy-proline Formula: C14H12ClNO4S MolecularWeight: 325.76738

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C(=O)C2=C(C3=CC=CC=C3S2)Cl)O

Isomeric SMILES

C1C(CN(C1C(=O)O)C(=O)C2=C(C3=CC=CC=C3S2)Cl)O

InChI

InChI=1S/C14H12ClNO4S/c15-11-8-3-1-2-4-10(8)21-12(11)13(18)16-6-7(17)5-9(16)14(19)20/h1-4,7,9,17H,5-6H2,(H,19,20)