(3-nitrophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: (3-nitrophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: (3-nitrophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(2-thenoylamino)propionic acid (3-nitrobenzyl) ester Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-])NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-])NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H19N3O5S/c27-22(21-9-4-10-32-21)25-20(12-16-13-24-19-8-2-1-7-18(16)19)23(28)31-14-15-5-3-6-17(11-15)26(29)30/h1-11,13,20,24H,12,14H2,(H,25,27)