ethyl 2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: ethyl 2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: ethyl 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-(thiophene-2-carbonylamino)benzoate CAS Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-(thiophene-2-carbonylamino)benzoate Traditional Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-(2-thenoylamino)benzoic acid ethyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CS2)OCC(CNC(C)(C)C)O

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CS2)OCC(CNC(C)(C)C)O

InChI

InChI=1S/C21H28N2O5S/c1-5-27-20(26)16-11-14(23-19(25)18-7-6-10-29-18)8-9-17(16)28-13-15(24)12-22-21(2,3)4/h6-11,15,22,24H,5,12-13H2,1-4H3,(H,23,25)