[4-[(Z)-(2-acetamido-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-bromanyl-6-ethoxy-phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [4-[(Z)-(2-acetamido-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-bromanyl-6-ethoxy-phenyl] 4-nitrobenzenesulfonate Openeye Name: [4-[(Z)-(2-acetamido-4-oxo-thiazol-5-ylidene)methyl]-2-bromo-6-ethoxy-phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-[(Z)-(2-acetamido-4-oxo-5-thiazolylidene)methyl]-2-bromo-6-ethoxyphenyl] ester IUPAC Name: [4-[(Z)-(2-acetamido-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-bromo-6-ethoxyphenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [4-[(Z)-(2-acetamido-4-keto-2-thiazolin-5-ylidene)methyl]-2-bromo-6-ethoxy-phenyl] ester Formula: C20H16BrN3O8S2 MolecularWeight: 570.39034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)NC(=O)C)Br)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N=C(S2)NC(=O)C)Br)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16BrN3O8S2/c1-3-31-16-9-12(10-17-19(26)23-20(33-17)22-11(2)25)8-15(21)18(16)32-34(29,30)14-6-4-13(5-7-14)24(27)28/h4-10H,3H2,1-2H3,(H,22,23,25,26)/b17-10-