(E)-2-azanyl-2-[3-(5-methyl-2-nitro-phenyl)sulfanyloxypropyl]-3-oxidanylidene-6-phenyl-hex-4-enoic acid

Systemtic Name: (E)-2-azanyl-2-[3-(5-methyl-2-nitro-phenyl)sulfanyloxypropyl]-3-oxidanylidene-6-phenyl-hex-4-enoic acid Openeye Name: (E)-2-amino-2-[3-(5-methyl-2-nitro-phenyl)sulfanyloxypropyl]-3-oxo-6-phenyl-hex-4-enoic acid CAS Name: (E)-2-amino-2-[3-[(5-methyl-2-nitrophenyl)thio]oxypropyl]-3-oxo-6-phenyl-4-hexenoic acid IUPAC Name: (E)-2-amino-2-[3-(5-methyl-2-nitrophenyl)sulfanyloxypropyl]-3-oxo-6-phenylhex-4-enoic acid Traditional Name: (E)-2-amino-3-keto-2-[3-[(5-methyl-2-nitro-phenyl)thio]oxypropyl]-6-phenyl-hex-4-enoic acid Formula: C22H24N2O6S MolecularWeight: 444.50076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])SOCCCC(C(=O)C=CCC2=CC=CC=C2)(C(=O)O)N

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])SOCCCC(C(=O)/C=C/CC2=CC=CC=C2)(C(=O)O)N

InChI

InChI=1S/C22H24N2O6S/c1-16-11-12-18(24(28)29)19(15-16)31-30-14-6-13-22(23,21(26)27)20(25)10-5-9-17-7-3-2-4-8-17/h2-5,7-8,10-12,15H,6,9,13-14,23H2,1H3,(H,26,27)/b10-5+