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

Systemtic Name: ethyl 2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-(thiophen-3-ylcarbonylamino)benzoate Openeye Name: ethyl 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-(thiophene-3-carbonylamino)benzoate CAS Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-[[oxo(3-thiophenyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-(thiophene-3-carbonylamino)benzoate Traditional Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-(3-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=CSC=C2)OCC(CNC(C)(C)C)O

Isomeric SMILES

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

InChI

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