6-ethoxy-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 6-ethoxy-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,3-benzothiazole Openeye Name: 6-ethoxy-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,3-benzothiazole CAS Name: 6-ethoxy-2-[(4-methoxy-3-nitrophenyl)methylthio]-1,3-benzothiazole IUPAC Name: 6-ethoxy-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 6-ethoxy-2-[(4-methoxy-3-nitro-benzyl)thio]-1,3-benzothiazole Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O4S2/c1-3-23-12-5-6-13-16(9-12)25-17(18-13)24-10-11-4-7-15(22-2)14(8-11)19(20)21/h4-9H,3,10H2,1-2H3