[2-[[(R)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate

Systemtic Name: [2-[[(R)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-[[(R)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-[[(R)-(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:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)N[C@H](C2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C22H20FNO3S/c1-2-15-5-7-17(8-6-15)22(26)27-14-20(25)24-21(19-4-3-13-28-19)16-9-11-18(23)12-10-16/h3-13,21H,2,14H2,1H3,(H,24,25)/t21-/m1/s1