(E)-2-cyano-3-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)-N-(3-methylsulfanylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)-N-(3-methylsulfanylphenyl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxy-5-methoxy-2-nitro-phenyl)-2-cyano-N-(3-methylsulfanylphenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)-N-[3-(methylthio)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)-N-(3-methylsulfanylphenyl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxy-5-methoxy-2-nitro-phenyl)-2-cyano-N-[3-(methylthio)phenyl]acrylamide Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)SC)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)SC)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C25H21N3O5S/c1-32-23-12-18(11-19(15-26)25(29)27-20-9-6-10-21(13-20)34-2)22(28(30)31)14-24(23)33-16-17-7-4-3-5-8-17/h3-14H,16H2,1-2H3,(H,27,29)/b19-11+