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

Systemtic Name: propyl 2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5S/c1-5-10-28-21(27)17-12-15(24-20(26)19-7-6-11-30-19)8-9-18(17)29-14-16(25)13-23-22(2,3)4/h6-9,11-12,16,23,25H,5,10,13-14H2,1-4H3,(H,24,26)