(E)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(4,6-dimethyl-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:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C

InChI

InChI=1S/C19H15N3O5S/c1-10-5-11(2)18-16(6-10)28-19(21-18)20-17(23)4-3-12-7-14-15(27-9-26-14)8-13(12)22(24)25/h3-8H,9H2,1-2H3,(H,20,21,23)/b4-3+