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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(2-cyanoethylamino)-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-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-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-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC(=O)NCCC#N)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC(=O)NCCC#N)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H20N4O4S/c22-8-4-9-23-19(26)13-29-21(28)17(25-20(27)18-7-3-10-30-18)11-14-12-24-16-6-2-1-5-15(14)16/h1-3,5-7,10,12,17,24H,4,9,11,13H2,(H,23,26)(H,25,27)