3-[4-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]phenyl]propanoic acid Openeye Name: 3-[4-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]phenyl]propanoic acid CAS Name: 3-[4-[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]phenyl]propanoic acid Traditional Name: 3-[4-[[2-[(4-nitrobenzyl)thio]acetyl]amino]phenyl]propionic acid Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5S/c21-17(12-26-11-14-3-8-16(9-4-14)20(24)25)19-15-6-1-13(2-7-15)5-10-18(22)23/h1-4,6-9H,5,10-12H2,(H,19,21)(H,22,23)