(E)-2-cyano-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-propoxyphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-propoxyphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-propoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-propoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-propoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-propoxyphenyl)acrylamide Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O4S/c1-2-9-28-16-6-3-13(4-7-16)10-14(12-21)19(25)23-20-22-17-8-5-15(24(26)27)11-18(17)29-20/h3-8,10-11H,2,9H2,1H3,(H,22,23,25)/b14-10+