3-methyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1,2-oxazole-5-carboxamide

Systemtic Name: 3-methyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1,2-oxazole-5-carboxamide Openeye Name: 3-methyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]isoxazole-5-carboxamide CAS Name: 3-methyl-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-5-isoxazolecarboxamide IUPAC Name: 3-methyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1,2-oxazole-5-carboxamide Traditional Name: 3-methyl-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]isoxazole-5-carboxamide Formula: C15H14N4O4S2 MolecularWeight: 378.42606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCSC

Isomeric SMILES

CC1=NOC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCSC

InChI

InChI=1S/C15H14N4O4S2/c1-9-7-12(23-17-9)14(20)16-15-18(5-6-24-2)11-4-3-10(19(21)22)8-13(11)25-15/h3-4,7-8H,5-6H2,1-2H3