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

Systemtic Name: ethyl 2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-5-(2-thiophen-3-ylethanoylamino)benzoate Openeye Name: ethyl 2-[2-hydroxy-3-(isopropylamino)propoxy]-5-[[2-(3-thienyl)acetyl]amino]benzoate CAS Name: 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5-[[1-oxo-2-(3-thiophenyl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5-[(2-thiophen-3-ylacetyl)amino]benzoate Traditional Name: 2-[2-hydroxy-3-(isopropylamino)propoxy]-5-[[2-(3-thienyl)acetyl]amino]benzoic acid ethyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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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)O

Isomeric SMILES

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

InChI

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