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

Systemtic Name: [4-[(Z)-(2-acetamido-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate Openeye Name: [4-[(Z)-(2-acetamido-4-oxo-thiazol-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-[(Z)-(2-acetamido-4-oxo-5-thiazolylidene)methyl]phenyl] ester IUPAC Name: [4-[(Z)-(2-acetamido-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [4-[(Z)-(2-acetamido-4-keto-2-thiazolin-5-ylidene)methyl]phenyl] ester Formula: C18H13N3O7S2 MolecularWeight: 447.44172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C(=CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S1

Isomeric SMILES

CC(=O)NC1=NC(=O)/C(=C/C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])/S1

InChI

InChI=1S/C18H13N3O7S2/c1-11(22)19-18-20-17(23)16(29-18)10-12-2-6-14(7-3-12)28-30(26,27)15-8-4-13(5-9-15)21(24)25/h2-10H,1H3,(H,19,20,22,23)/b16-10-