(E)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)-3-(2-thienyl)acrylamide Formula: C17H11N3O3S2 MolecularWeight: 369.41754

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C=CC3=CC=CS3

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C17H11N3O3S2/c1-2-9-19-14-7-5-12(20(22)23)11-15(14)25-17(19)18-16(21)8-6-13-4-3-10-24-13/h1,3-8,10-11H,9H2/b8-6+,18-17?