methyl (E)-6-[3-[[(E)-1-methylsulfanyl-2-nitro-ethenyl]amino]phenyl]-6-pyridin-3-yl-hex-5-enoate

Systemtic Name: methyl (E)-6-[3-[[(E)-1-methylsulfanyl-2-nitro-ethenyl]amino]phenyl]-6-pyridin-3-yl-hex-5-enoate Openeye Name: methyl (E)-6-[3-[[(E)-1-methylsulfanyl-2-nitro-vinyl]amino]phenyl]-6-(3-pyridyl)hex-5-enoate CAS Name: (E)-6-[3-[[(E)-1-(methylthio)-2-nitroethenyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[3-[[(E)-1-methylsulfanyl-2-nitroethenyl]amino]phenyl]-6-pyridin-3-ylhex-5-enoate Traditional Name: (E)-6-[3-[[(E)-1-(methylthio)-2-nitro-vinyl]amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=C(C1=CC(=CC=C1)NC(=C[N+](=O)[O-])SC)C2=CN=CC=C2

Isomeric SMILES

COC(=O)CCC/C=C(\C1=CC(=CC=C1)N/C(=C\[N+](=O)[O-])/SC)/C2=CN=CC=C2

InChI

InChI=1S/C21H23N3O4S/c1-28-21(25)11-4-3-10-19(17-8-6-12-22-14-17)16-7-5-9-18(13-16)23-20(29-2)15-24(26)27/h5-10,12-15,23H,3-4,11H2,1-2H3/b19-10+,20-15+