4-[[2-[(3,4-dichlorophenyl)methylsulfanyl]ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-[(3,4-dichlorophenyl)methylsulfanyl]ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[(3,4-dichlorophenyl)methylthio]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[(3,4-dichlorobenzyl)thio]acetyl]amino]methyl]benzoic acid Formula: C17H15Cl2NO3S MolecularWeight: 384.2769

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CSCC2=CC(=C(C=C2)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CSCC2=CC(=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C17H15Cl2NO3S/c18-14-6-3-12(7-15(14)19)9-24-10-16(21)20-8-11-1-4-13(5-2-11)17(22)23/h1-7H,8-10H2,(H,20,21)(H,22,23)