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

Systemtic Name: methyl 2-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C18H17FN2O4S MolecularWeight: 376.401983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C18H17FN2O4S/c1-25-18(24)14-4-2-3-5-15(14)21-17(23)11-26-10-16(22)20-13-8-6-12(19)7-9-13/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23)