N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide

Systemtic Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide Openeye Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide CAS Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3,5-dinitrobenzamide IUPAC Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitrobenzamide Traditional Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide Formula: C19H18N4O7S2 MolecularWeight: 478.49882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)CCSC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)CCSC)OC

InChI

InChI=1S/C19H18N4O7S2/c1-29-15-9-14-17(10-16(15)30-2)32-19(21(14)4-5-31-3)20-18(24)11-6-12(22(25)26)8-13(7-11)23(27)28/h6-10H,4-5H2,1-3H3