propan-2-yl 3-[(4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[(4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[(4-fluorobenzothiophene-2-carbonyl)amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[(4-fluorobenzothiophene-2-carbonyl)amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C21H19FN2O5S MolecularWeight: 430.449363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(C=CC=C3S2)F

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(C=CC=C3S2)F

InChI

InChI=1S/C21H19FN2O5S/c1-12(2)29-20(25)11-16(13-6-3-4-8-17(13)24(27)28)23-21(26)19-10-14-15(22)7-5-9-18(14)30-19/h3-10,12,16H,11H2,1-2H3,(H,23,26)