2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-methoxy-2-nitro-5-oxidanyl-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-methoxy-2-nitro-5-oxidanyl-phenyl)methylideneamino]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(5-hydroxy-4-methoxy-2-nitro-phenyl)methyleneamino]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(E)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(E)-(5-hydroxy-4-methoxy-2-nitro-benzylidene)amino]acetamide Formula: C17H14N4O5S2 MolecularWeight: 418.44686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)[N+](=O)[O-])C=NNC(=O)CSC2=NC3=CC=CC=C3S2)O

Isomeric SMILES

COC1=C(C=C(C(=C1)[N+](=O)[O-])/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C17H14N4O5S2/c1-26-14-7-12(21(24)25)10(6-13(14)22)8-18-20-16(23)9-27-17-19-11-4-2-3-5-15(11)28-17/h2-8,22H,9H2,1H3,(H,20,23)/b18-8+