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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C19H15N3O5S/c1-21(10-18-20-13-4-2-3-5-17(13)28-18)19(23)7-6-12-8-15-16(27-11-26-15)9-14(12)22(24)25/h2-9H,10-11H2,1H3/b7-6+