methyl 5-[2-(4-tert-butylphenyl)sulfanylethanoylamino]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[2-(4-tert-butylphenyl)sulfanylethanoylamino]-2-fluoranyl-benzoate Openeye Name: methyl 5-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-2-fluoro-benzoate CAS Name: 5-[[2-[(4-tert-butylphenyl)thio]-1-oxoethyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-2-fluorobenzoate Traditional Name: 5-[[2-[(4-tert-butylphenyl)thio]acetyl]amino]-2-fluoro-benzoic acid methyl ester Formula: C20H22FNO3S MolecularWeight: 375.456983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2=CC(=C(C=C2)F)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2=CC(=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C20H22FNO3S/c1-20(2,3)13-5-8-15(9-6-13)26-12-18(23)22-14-7-10-17(21)16(11-14)19(24)25-4/h5-11H,12H2,1-4H3,(H,22,23)