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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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