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

Systemtic Name: 2-[(4-nitrophenyl)sulfanyl-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[benzyl-(4-nitrophenyl)sulfanyl-amino]acetic acid CAS Name: 2-[[(4-nitrophenyl)thio]-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl-(4-nitrophenyl)sulfanylamino]acetic acid Traditional Name: 2-[benzyl-[(4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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