propan-2-yl 3-(1-benzothiophen-2-ylcarbonylamino)-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-(1-benzothiophen-2-ylcarbonylamino)-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-(benzothiophene-2-carbonylamino)-3-(2-nitrophenyl)propanoate CAS Name: 3-[[1-benzothiophen-2-yl(oxo)methyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(1-benzothiophene-2-carbonylamino)-3-(2-nitrophenyl)propanoate Traditional Name: 3-(benzothiophene-2-carbonylamino)-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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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=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S/c1-13(2)28-20(24)12-16(15-8-4-5-9-17(15)23(26)27)22-21(25)19-11-14-7-3-6-10-18(14)29-19/h3-11,13,16H,12H2,1-2H3,(H,22,25)