butyl 4-[2-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-(2-fluoroanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[2-(2-fluoroanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-(2-fluoroanilino)-2-keto-ethyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C21H23FN2O4S MolecularWeight: 418.481723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2F

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2F

InChI

InChI=1S/C21H23FN2O4S/c1-2-3-12-28-21(27)15-8-10-16(11-9-15)23-19(25)13-29-14-20(26)24-18-7-5-4-6-17(18)22/h4-11H,2-3,12-14H2,1H3,(H,23,25)(H,24,26)