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

Systemtic Name: 4-[[2-[(3-chlorophenyl)methylsulfanyl]ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[(3-chlorophenyl)methylthio]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[(3-chlorobenzyl)thio]acetyl]amino]methyl]benzoic acid Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CSCC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CSCC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H16ClNO3S/c18-15-3-1-2-13(8-15)10-23-11-16(20)19-9-12-4-6-14(7-5-12)17(21)22/h1-8H,9-11H2,(H,19,20)(H,21,22)