propyl 2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-5-(thiophen-2-ylcarbonylamino)benzoate

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

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-4-9-27-21(26)17-11-15(23-20(25)19-6-5-10-29-19)7-8-18(17)28-13-16(24)12-22-14(2)3/h5-8,10-11,14,16,22,24H,4,9,12-13H2,1-3H3,(H,23,25)