[4-[(E)-2-cyano-3-oxidanylidene-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 4-fluoranylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 4-fluoranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(thiazol-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[(E)-2-cyano-3-oxo-3-(2-thiazolylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[(E)-2-cyano-3-keto-3-(thiazol-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H14FN3O4S MolecularWeight: 423.416963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=NC=CS2)OC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=NC=CS2)OC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H14FN3O4S/c1-28-18-11-13(10-15(12-23)19(26)25-21-24-8-9-30-21)2-7-17(18)29-20(27)14-3-5-16(22)6-4-14/h2-11H,1H3,(H,24,25,26)/b15-10+