[2-(tert-butylamino)-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 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 [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(2-thenoylamino)propionic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H25N3O4S/c1-22(2,3)25-19(26)13-29-21(28)17(24-20(27)18-9-6-10-30-18)11-14-12-23-16-8-5-4-7-15(14)16/h4-10,12,17,23H,11,13H2,1-3H3,(H,24,27)(H,25,26)