2-[(2-nitrophenyl)sulfanyl-(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2-[(2-nitrophenyl)sulfanyl-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[benzyl-(2-nitrophenyl)sulfanyl-amino]acetic acid CAS Name: 2-[[(2-nitrophenyl)thio]-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl-(2-nitrophenyl)sulfanylamino]acetic acid Traditional Name: 2-[benzyl-[(2-nitrophenyl)thio]amino]acetic acid Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC(=O)O)SC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CC(=O)O)SC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O4S/c18-15(19)11-16(10-12-6-2-1-3-7-12)22-14-9-5-4-8-13(14)17(20)21/h1-9H,10-11H2,(H,18,19)