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

Systemtic Name: [4-[(Z)-(2-acetamido-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-ethoxy-phenyl] 4-nitrobenzenesulfonate Openeye Name: [4-[(Z)-(2-acetamido-4-oxo-thiazol-5-ylidene)methyl]-2-ethoxy-phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-[(Z)-(2-acetamido-4-oxo-5-thiazolylidene)methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(Z)-(2-acetamido-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxyphenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [4-[(Z)-(2-acetamido-4-keto-2-thiazolin-5-ylidene)methyl]-2-ethoxy-phenyl] ester Formula: C20H17N3O8S2 MolecularWeight: 491.49428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H17N3O8S2/c1-3-30-17-10-13(11-18-19(25)22-20(32-18)21-12(2)24)4-9-16(17)31-33(28,29)15-7-5-14(6-8-15)23(26)27/h4-11H,3H2,1-2H3,(H,21,22,24,25)/b18-11-