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

Systemtic Name: ethyl 2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-(2-thiophen-3-ylethanoylamino)benzoate Openeye Name: ethyl 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-[[2-(3-thienyl)acetyl]amino]benzoate CAS Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-[[1-oxo-2-(3-thiophenyl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-[(2-thiophen-3-ylacetyl)amino]benzoate Traditional Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-[[2-(3-thienyl)acetyl]amino]benzoic acid ethyl ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CC2=CSC=C2)OCC(CNC(C)(C)C)O

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CC2=CSC=C2)OCC(CNC(C)(C)C)O

InChI

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