[2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 2,4-dimethylbenzoate

Systemtic Name: [2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 2,4-dimethylbenzoate Openeye Name: [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 2,4-dimethylbenzoate Traditional Name: 2,4-dimethylbenzoic acid [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C22H20FNO3S MolecularWeight: 397.462503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3)C

InChI

InChI=1S/C22H20FNO3S/c1-14-5-10-18(15(2)12-14)22(26)27-13-20(25)24-21(19-4-3-11-28-19)16-6-8-17(23)9-7-16/h3-12,21H,13H2,1-2H3,(H,24,25)