2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-6-nitro-1,3-benzothiazole

Systemtic Name: 2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-6-nitro-1,3-benzothiazole Formula: C16H11ClN2O4S2 MolecularWeight: 394.85254

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN2O4S2/c17-11-5-9(6-13-15(11)23-4-3-22-13)8-24-16-18-12-2-1-10(19(20)21)7-14(12)25-16/h1-2,5-7H,3-4,8H2