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4-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-nitro-benzoate

4-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-nitro-benzoate

Systemtic Name:4-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-nitro-benzoate
Openeye Name:4-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-nitro-benzoate
CAS Name:4-[(1,3-benzothiazol-2-ylthio)methyl]-3-nitrobenzoate
IUPAC Name:4-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-nitrobenzoate
Traditional Name:4-[(1,3-benzothiazol-2-ylthio)methyl]-3-nitro-benzoate
Formula: C15H9N2O4S2-
MolecularWeight: 345.37296
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=C(C=C(C=C3)C(=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=C(C=C(C=C3)C(=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C15H10N2O4S2/c18-14(19)9-5-6-10(12(7-9)17(20)21)8-22-15-16-11-3-1-2-4-13(11)23-15/h1-7H,8H2,(H,18,19)/p-1


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