[2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C22H20FNO5S MolecularWeight: 429.461303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3)OC

InChI

InChI=1S/C22H20FNO5S/c1-27-17-10-15(11-18(12-17)28-2)22(26)29-13-20(25)24-21(19-4-3-9-30-19)14-5-7-16(23)8-6-14/h3-12,21H,13H2,1-2H3,(H,24,25)