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

Systemtic Name: (4-bromophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: (4-bromophenyl)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 (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(2-thenoylamino)propionic acid (4-bromobenzyl) ester Formula: C23H19BrN2O3S MolecularWeight: 483.37756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC3=CC=C(C=C3)Br)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC3=CC=C(C=C3)Br)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H19BrN2O3S/c24-17-9-7-15(8-10-17)14-29-23(28)20(26-22(27)21-6-3-11-30-21)12-16-13-25-19-5-2-1-4-18(16)19/h1-11,13,20,25H,12,14H2,(H,26,27)