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

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[(4-azanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-[(4-amino-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[(4-amino-3-nitrophenyl)sulfonylamino]acetic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-[(4-amino-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-amino-3-nitro-phenyl)sulfonylamino]acetic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C14H12BrN3O7S2 MolecularWeight: 478.29498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)NCC(=O)OCC(=O)C2=CC=C(S2)Br)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)NCC(=O)OCC(=O)C2=CC=C(S2)Br)[N+](=O)[O-])N

InChI

InChI=1S/C14H12BrN3O7S2/c15-13-4-3-12(26-13)11(19)7-25-14(20)6-17-27(23,24)8-1-2-9(16)10(5-8)18(21)22/h1-5,17H,6-7,16H2