(E)-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C19H15N3O5S/c1-2-11-3-5-13-17(7-11)28-19(20-13)21-18(23)6-4-12-8-15-16(27-10-26-15)9-14(12)22(24)25/h3-9H,2,10H2,1H3,(H,20,21,23)/b6-4+