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

Systemtic Name: (E)-3-(4-butoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-butoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(4-butoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(4-butoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-butoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acrylamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S/c1-2-3-12-27-16-8-4-14(5-9-16)6-11-19(24)22-20-21-17-10-7-15(23(25)26)13-18(17)28-20/h4-11,13H,2-3,12H2,1H3,(H,21,22,24)/b11-6+