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

Systemtic Name: propan-2-yl 2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-5-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)C(=O)OC(C)C)O

Isomeric SMILES

CC(C)NCC(COC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)C(=O)OC(C)C)O

InChI

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