2-azanyl-2-(furan-2-ylcarbonyl)-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-pentanoic acid

Systemtic Name: 2-azanyl-2-(furan-2-ylcarbonyl)-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-pentanoic acid Openeye Name: 2-amino-2-(furan-2-carbonyl)-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-pentanoic acid CAS Name: 2-amino-2-[2-furanyl(oxo)methyl]-5-[(5-methyl-2-nitrophenyl)thio]oxypentanoic acid IUPAC Name: 2-amino-2-(furan-2-carbonyl)-5-(5-methyl-2-nitrophenyl)sulfanyloxypentanoic acid Traditional Name: 2-amino-2-(2-furoyl)-5-[(5-methyl-2-nitro-phenyl)thio]oxy-valeric acid Formula: C17H18N2O7S MolecularWeight: 394.39902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])SOCCCC(C(=O)C2=CC=CO2)(C(=O)O)N

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])SOCCCC(C(=O)C2=CC=CO2)(C(=O)O)N

InChI

InChI=1S/C17H18N2O7S/c1-11-5-6-12(19(23)24)14(10-11)27-26-9-3-7-17(18,16(21)22)15(20)13-4-2-8-25-13/h2,4-6,8,10H,3,7,9,18H2,1H3,(H,21,22)