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

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(ethylcarbamoylamino)-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-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-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-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5S/c1-2-22-21(29)25-18(26)12-30-20(28)16(24-19(27)17-8-5-9-31-17)10-13-11-23-15-7-4-3-6-14(13)15/h3-9,11,16,23H,2,10,12H2,1H3,(H,24,27)(H2,22,25,26,29)