5-chloranyl-2-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)ethenyl]-1,3-benzothiazole

Systemtic Name: 5-chloranyl-2-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)ethenyl]-1,3-benzothiazole Openeye Name: 5-chloro-2-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)vinyl]-1,3-benzothiazole CAS Name: 5-chloro-2-[(E)-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-1,3-benzothiazole IUPAC Name: 5-chloro-2-[(E)-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-1,3-benzothiazole Traditional Name: 5-chloro-2-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)vinyl]-1,3-benzothiazole Formula: C17H13ClN2O4S MolecularWeight: 376.81412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=CC2=NC3=C(S2)C=CC(=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C/C2=NC3=C(S2)C=CC(=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C17H13ClN2O4S/c1-23-14-7-10(13(20(21)22)9-15(14)24-2)3-6-17-19-12-8-11(18)4-5-16(12)25-17/h3-9H,1-2H3/b6-3+