1,3-benzothiazol-2-ylmethyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H12N2O6S2 MolecularWeight: 392.40628

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O6S2/c1-26(22,23)14-7-6-10(8-12(14)18(20)21)16(19)24-9-15-17-11-4-2-3-5-13(11)25-15/h2-8H,9H2,1H3