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

Systemtic Name: [4-[(Z)-(2-acetamido-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-ethoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(Z)-(2-acetamido-4-oxo-thiazol-5-ylidene)methyl]-2-ethoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(Z)-(2-acetamido-4-keto-2-thiazolin-5-ylidene)methyl]-2-ethoxy-phenyl] ester Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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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)C

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)C

InChI

InChI=1S/C21H20N2O6S2/c1-4-28-18-11-15(12-19-20(25)23-21(30-19)22-14(3)24)7-10-17(18)29-31(26,27)16-8-5-13(2)6-9-16/h5-12H,4H2,1-3H3,(H,22,23,24,25)/b19-12-