ethyl 2-[(4-azanyl-2-nitro-phenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(4-azanyl-2-nitro-phenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(4-amino-2-nitro-phenyl)sulfonylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(4-amino-2-nitrophenyl)sulfonylamino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-amino-2-nitrophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-amino-2-nitro-phenyl)sulfonylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C13H14N4O6S2 MolecularWeight: 386.40346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NS(=O)(=O)C2=C(C=C(C=C2)N)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NS(=O)(=O)C2=C(C=C(C=C2)N)[N+](=O)[O-])C

InChI

InChI=1S/C13H14N4O6S2/c1-3-23-12(18)11-7(2)15-13(24-11)16-25(21,22)10-5-4-8(14)6-9(10)17(19)20/h4-6H,3,14H2,1-2H3,(H,15,16)