2-[(2-chlorophenyl)methyl-(4-nitrophenyl)sulfanyl-amino]propanoic acid

Systemtic Name: 2-[(2-chlorophenyl)methyl-(4-nitrophenyl)sulfanyl-amino]propanoic acid Openeye Name: 2-[(2-chlorophenyl)methyl-(4-nitrophenyl)sulfanyl-amino]propanoic acid CAS Name: 2-[(2-chlorophenyl)methyl-[(4-nitrophenyl)thio]amino]propanoic acid IUPAC Name: 2-[(2-chlorophenyl)methyl-(4-nitrophenyl)sulfanylamino]propanoic acid Traditional Name: 2-[(2-chlorobenzyl)-[(4-nitrophenyl)thio]amino]propionic acid Formula: C16H15ClN2O4S MolecularWeight: 366.8193

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(CC1=CC=CC=C1Cl)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)N(CC1=CC=CC=C1Cl)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN2O4S/c1-11(16(20)21)18(10-12-4-2-3-5-15(12)17)24-14-8-6-13(7-9-14)19(22)23/h2-9,11H,10H2,1H3,(H,20,21)