5-[(4-chlorophenyl)methylcarbamoyl]thiolane-2-carboxylic acid

Systemtic Name: 5-[(4-chlorophenyl)methylcarbamoyl]thiolane-2-carboxylic acid Openeye Name: 5-[(4-chlorophenyl)methylcarbamoyl]tetrahydrothiophene-2-carboxylic acid CAS Name: 5-[[(4-chlorophenyl)methylamino]-oxomethyl]-2-thiolanecarboxylic acid IUPAC Name: 5-[(4-chlorophenyl)methylcarbamoyl]thiolane-2-carboxylic acid Traditional Name: 5-[(4-chlorobenzyl)carbamoyl]tetrahydrothiophene-2-carboxylic acid Formula: C13H14ClNO3S MolecularWeight: 299.77316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(SC1C(=O)NCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CC(SC1C(=O)NCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C13H14ClNO3S/c14-9-3-1-8(2-4-9)7-15-12(16)10-5-6-11(19-10)13(17)18/h1-4,10-11H,5-7H2,(H,15,16)(H,17,18)