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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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