methyl 2-[2-[(2-nitrophenyl)sulfanylamino]propanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[2-[(2-nitrophenyl)sulfanylamino]propanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[2-[(2-nitrophenyl)sulfanylamino]propanoylamino]-3-phenyl-propanoate CAS Name: 2-[[2-[[(2-nitrophenyl)thio]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[2-[(2-nitrophenyl)sulfanylamino]propanoylamino]-3-phenylpropanoate Traditional Name: 2-[2-[[(2-nitrophenyl)thio]amino]propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NSC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NSC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-13(21-28-17-11-7-6-10-16(17)22(25)26)18(23)20-15(19(24)27-2)12-14-8-4-3-5-9-14/h3-11,13,15,21H,12H2,1-2H3,(H,20,23)