tert-butyl 3-(1H-indol-3-yl)-2-(2-thiophen-3-ylethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl 3-(1H-indol-3-yl)-2-(2-thiophen-3-ylethoxycarbonylamino)propanoate Openeye Name: tert-butyl 3-(1H-indol-3-yl)-2-[2-(3-thienyl)ethoxycarbonylamino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo-[2-(3-thiophenyl)ethoxy]methyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1H-indol-3-yl)-2-(2-thiophen-3-ylethoxycarbonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[2-(3-thienyl)ethoxycarbonylamino]propionic acid tert-butyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCCC3=CSC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCCC3=CSC=C3

InChI

InChI=1S/C22H26N2O4S/c1-22(2,3)28-20(25)19(12-16-13-23-18-7-5-4-6-17(16)18)24-21(26)27-10-8-15-9-11-29-14-15/h4-7,9,11,13-14,19,23H,8,10,12H2,1-3H3,(H,24,26)