N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxy-ethanamide

Systemtic Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxy-ethanamide Openeye Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxy-acetamide CAS Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide IUPAC Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide Traditional Name: N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)-2-phenoxy-acetamide Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)COC3=CC=CC=C3

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C18H13N3O4S/c1-2-10-20-15-9-8-13(21(23)24)11-16(15)26-18(20)19-17(22)12-25-14-6-4-3-5-7-14/h1,3-9,11H,10,12H2