[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C15H14BrN3O7S2 MolecularWeight: 492.32156

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=C(S2)Br)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=C(S2)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H14BrN3O7S2/c1-17-10-3-2-9(6-11(10)19(22)23)28(24,25)18-7-15(21)26-8-12(20)13-4-5-14(16)27-13/h2-6,17-18H,7-8H2,1H3