N-[3-(2-methoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide

Systemtic Name: N-[3-(2-methoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide Openeye Name: N-[3-(2-methoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide CAS Name: N-[3-(2-methoxyethyl)-6-(methylthio)-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide IUPAC Name: N-[3-(2-methoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide Traditional Name: N-[3-(2-methoxyethyl)-6-(methylthio)-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)SC)SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)SC)SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S2/c1-25-10-9-20-15-8-7-12(26-2)11-16(15)27-18(20)19-17(22)13-5-3-4-6-14(13)21(23)24/h3-8,11H,9-10H2,1-2H3