[2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-[4-methoxy-N-(2-thienylmethyl)anilino]-2-oxo-ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-keto-2-[4-methoxy-N-(2-thenyl)anilino]ethyl] ester Formula: C22H20FNO4S MolecularWeight: 413.461903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC2=CC=CS2)C3=CC=C(C=C3)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC2=CC=CS2)C3=CC=C(C=C3)OC)F

InChI

InChI=1S/C22H20FNO4S/c1-15-5-6-16(12-20(15)23)22(26)28-14-21(25)24(13-19-4-3-11-29-19)17-7-9-18(27-2)10-8-17/h3-12H,13-14H2,1-2H3