2-methoxy-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCSC

Isomeric SMILES

COC1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCSC

InChI

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