[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-fluorophenyl)methoxy]benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-fluorophenyl)methoxy]benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-[(4-fluorophenyl)methoxy]benzoate CAS Name: 3-[(4-fluorophenyl)methoxy]benzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate Traditional Name: 3-(4-fluorobenzyl)oxybenzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H15FN2O4S MolecularWeight: 410.418203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)F)C(=O)OCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)F)C(=O)OCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C21H15FN2O4S/c22-17-6-4-14(5-7-17)12-27-18-3-1-2-15(10-18)21(26)28-13-19(25)24-20-16(11-23)8-9-29-20/h1-10H,12-13H2,(H,24,25)