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

Systemtic Name: [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-bromanyl-6-ethoxy-phenyl] 4-nitrobenzenesulfonate Openeye Name: [4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-bromo-6-ethoxy-phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-[(2-amino-4-oxo-5-thiazolylidene)methyl]-2-bromo-6-ethoxyphenyl] ester IUPAC Name: [4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-bromo-6-ethoxyphenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-bromo-6-ethoxy-phenyl] ester Formula: C18H14BrN3O7S2 MolecularWeight: 528.35366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN3O7S2/c1-2-28-14-8-10(9-15-17(23)21-18(20)30-15)7-13(19)16(14)29-31(26,27)12-5-3-11(4-6-12)22(24)25/h3-9H,2H2,1H3,(H2,20,21,23)