ethyl 4-[2-[3-[(4-fluoranyl-2-methyl-phenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[(4-fluoranyl-2-methyl-phenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-(4-fluoro-2-methyl-anilino)-3-oxo-propyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-(4-fluoro-2-methylanilino)-3-oxopropyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(4-fluoro-2-methylanilino)-3-oxopropyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(4-fluoro-2-methyl-anilino)-3-keto-propyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)NC2=C(C=C(C=C2)F)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)NC2=C(C=C(C=C2)F)C

InChI

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