2-[4-[3-[(2-nitrophenyl)carbamoyl-phenethyl-amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[4-[3-[(2-nitrophenyl)carbamoyl-phenethyl-amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[3-[(2-nitrophenyl)carbamoyl-phenethyl-amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[3-[[(2-nitroanilino)-oxomethyl]-phenethylamino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[3-[(2-nitrophenyl)carbamoyl-phenethylamino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[3-[(2-nitrophenyl)carbamoyl-phenethyl-amino]phenyl]thio]phenyl]acetic acid Formula: C29H25N3O5S MolecularWeight: 527.5909

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(C2=CC(=CC=C2)SC3=CC=C(C=C3)CC(=O)O)C(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN(C2=CC(=CC=C2)SC3=CC=C(C=C3)CC(=O)O)C(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C29H25N3O5S/c33-28(34)19-22-13-15-24(16-14-22)38-25-10-6-9-23(20-25)31(18-17-21-7-2-1-3-8-21)29(35)30-26-11-4-5-12-27(26)32(36)37/h1-16,20H,17-19H2,(H,30,35)(H,33,34)