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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3-methoxy-2-nitro-phenyl)methylideneamino]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3-methoxy-2-nitro-phenyl)methyleneamino]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(E)-(3-methoxy-2-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3-methoxy-2-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(E)-(3-methoxy-2-nitro-benzylidene)amino]acetamide Formula: C17H14N4O4S2 MolecularWeight: 402.44746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O4S2/c1-25-13-7-4-5-11(16(13)21(23)24)9-18-20-15(22)10-26-17-19-12-6-2-3-8-14(12)27-17/h2-9H,10H2,1H3,(H,20,22)/b18-9+