[3,5-bis(chloranyl)phenyl] 4-(2-sulfanylpropanoylamino)benzoate

Systemtic Name: [3,5-bis(chloranyl)phenyl] 4-(2-sulfanylpropanoylamino)benzoate Openeye Name: (3,5-dichlorophenyl) 4-(2-sulfanylpropanoylamino)benzoate CAS Name: 4-[(2-mercapto-1-oxopropyl)amino]benzoic acid (3,5-dichlorophenyl) ester IUPAC Name: (3,5-dichlorophenyl) 4-(2-sulfanylpropanoylamino)benzoate Traditional Name: 4-(2-mercaptopropanoylamino)benzoic acid (3,5-dichlorophenyl) ester Formula: C16H13Cl2NO3S MolecularWeight: 370.25032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)Cl)Cl)S

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)Cl)Cl)S

InChI

InChI=1S/C16H13Cl2NO3S/c1-9(23)15(20)19-13-4-2-10(3-5-13)16(21)22-14-7-11(17)6-12(18)8-14/h2-9,23H,1H3,(H,19,20)