[(E,4Z)-4-(2-azanyl-5-oxidanylidene-1,3-thiazol-4-ylidene)-4-(phenylcarbonyloxy)but-2-enyl] benzoate

Systemtic Name: [(E,4Z)-4-(2-azanyl-5-oxidanylidene-1,3-thiazol-4-ylidene)-4-(phenylcarbonyloxy)but-2-enyl] benzoate Openeye Name: [(E,4Z)-4-(2-amino-5-oxo-thiazol-4-ylidene)-4-benzoyloxy-but-2-enyl] benzoate CAS Name: benzoic acid [(E,4Z)-4-(2-amino-5-oxo-4-thiazolylidene)-4-benzoyloxybut-2-enyl] ester IUPAC Name: [(E,4Z)-4-(2-amino-5-oxo-1,3-thiazol-4-ylidene)-4-benzoyloxybut-2-enyl] benzoate Traditional Name: benzoic acid [(E,4Z)-4-(2-amino-5-keto-2-thiazolin-4-ylidene)-4-benzoyloxy-but-2-enyl] ester Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC=CC(=C2C(=O)SC(=N2)N)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC/C=C/C(=C/2\C(=O)SC(=N2)N)/OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H16N2O5S/c22-21-23-17(20(26)29-21)16(28-19(25)15-10-5-2-6-11-15)12-7-13-27-18(24)14-8-3-1-4-9-14/h1-12H,13H2,(H2,22,23)/b12-7+,17-16-