3-(2-nitrophenyl)sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-(2-nitrophenyl)sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(2-nitrophenyl)sulfanyl-propanoic acid CAS Name: 3-[(2-nitrophenyl)thio]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-(2-nitrophenyl)sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[(2-nitrophenyl)thio]propionic acid Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CSC2=CC=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CSC2=CC=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H16N2O6S/c20-16(21)13(11-26-15-9-5-4-8-14(15)19(23)24)18-17(22)25-10-12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,18,22)(H,20,21)