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

Systemtic Name: ethyl 2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-5-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5S/c1-4-26-20(25)16-10-14(22-19(24)18-6-5-9-28-18)7-8-17(16)27-12-15(23)11-21-13(2)3/h5-10,13,15,21,23H,4,11-12H2,1-3H3,(H,22,24)