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

Systemtic Name: [2-[[(R)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-[[(R)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-[[(R)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C20H15FN2O5S MolecularWeight: 414.406903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H15FN2O5S/c21-14-9-7-13(8-10-14)19(17-6-3-11-29-17)22-18(24)12-28-20(25)15-4-1-2-5-16(15)23(26)27/h1-11,19H,12H2,(H,22,24)/t19-/m1/s1