4-[(2-phenylsulfanylethanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(2-phenylsulfanylethanoylamino)methyl]benzoic acid Openeye Name: 4-[[(2-phenylsulfanylacetyl)amino]methyl]benzoic acid CAS Name: 4-[[[1-oxo-2-(phenylthio)ethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2-phenylsulfanylacetyl)amino]methyl]benzoic acid Traditional Name: 4-[[[2-(phenylthio)acetyl]amino]methyl]benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H15NO3S/c18-15(11-21-14-4-2-1-3-5-14)17-10-12-6-8-13(9-7-12)16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20)