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

Systemtic Name: [4-[(Z)-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-ethoxy-6-iodanyl-phenyl] 4-nitrobenzenesulfonate Openeye Name: [4-[(Z)-(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-ethoxy-6-iodo-phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-[(Z)-(2-amino-4-oxo-5-thiazolylidene)methyl]-2-ethoxy-6-iodophenyl] ester IUPAC Name: [4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxy-6-iodophenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [4-[(Z)-(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-ethoxy-6-iodo-phenyl] ester Formula: C18H14IN3O7S2 MolecularWeight: 575.35413

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H14IN3O7S2/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)/b15-9-