1,3-benzothiazol-2-ylmethyl 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[[4-(2-furylmethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(2-furanylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(2-furfurylamino)-3-nitro-phenyl]sulfonylamino]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H18N4O7S2 MolecularWeight: 502.52022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)NCC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)NCC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O7S2/c26-21(32-13-20-24-17-5-1-2-6-19(17)33-20)12-23-34(29,30)15-7-8-16(18(10-15)25(27)28)22-11-14-4-3-9-31-14/h1-10,22-23H,11-13H2