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

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

Isomeric SMILES

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

InChI

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