5-[(3,4-dichlorophenyl)methylcarbamoyl]thiolane-2-carboxylic acid

Systemtic Name: 5-[(3,4-dichlorophenyl)methylcarbamoyl]thiolane-2-carboxylic acid Openeye Name: 5-[(3,4-dichlorophenyl)methylcarbamoyl]tetrahydrothiophene-2-carboxylic acid CAS Name: 5-[[(3,4-dichlorophenyl)methylamino]-oxomethyl]-2-thiolanecarboxylic acid IUPAC Name: 5-[(3,4-dichlorophenyl)methylcarbamoyl]thiolane-2-carboxylic acid Traditional Name: 5-[(3,4-dichlorobenzyl)carbamoyl]tetrahydrothiophene-2-carboxylic acid Formula: C13H13Cl2NO3S MolecularWeight: 334.21822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13Cl2NO3S/c14-8-2-1-7(5-9(8)15)6-16-12(17)10-3-4-11(20-10)13(18)19/h1-2,5,10-11H,3-4,6H2,(H,16,17)(H,18,19)