(E)-2-cyano-3-[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-N-(2-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-N-(2-nitrophenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-N-(2-nitrophenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[4-methoxy-3-(4-thiomorpholin-4-iumylmethyl)phenyl]-N-(2-nitrophenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-N-(2-nitrophenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-N-(2-nitrophenyl)acrylamide Formula: C22H23N4O4S+ MolecularWeight: 439.50742

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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[N+](=O)[O-])C[NH+]3CCSCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2[N+](=O)[O-])C[NH+]3CCSCC3

InChI

InChI=1S/C22H22N4O4S/c1-30-21-7-6-16(13-18(21)15-25-8-10-31-11-9-25)12-17(14-23)22(27)24-19-4-2-3-5-20(19)26(28)29/h2-7,12-13H,8-11,15H2,1H3,(H,24,27)/p+1/b17-12+