2-[(2-nitrophenyl)sulfanyl-(4-phenylmethoxyphenyl)amino]ethanoic acid

Systemtic Name: 2-[(2-nitrophenyl)sulfanyl-(4-phenylmethoxyphenyl)amino]ethanoic acid Openeye Name: 2-(4-benzyloxy-N-(2-nitrophenyl)sulfanyl-anilino)acetic acid CAS Name: 2-(N-[(2-nitrophenyl)thio]-4-phenylmethoxyanilino)acetic acid IUPAC Name: 2-(N-(2-nitrophenyl)sulfanyl-4-phenylmethoxyanilino)acetic acid Traditional Name: 2-(4-benzoxy-N-[(2-nitrophenyl)thio]anilino)acetic acid Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)N(CC(=O)O)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)N(CC(=O)O)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5S/c24-21(25)14-22(29-20-9-5-4-8-19(20)23(26)27)17-10-12-18(13-11-17)28-15-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,25)