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

Systemtic Name: ethyl 2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-5-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: ethyl 2-[2-hydroxy-3-(isopropylamino)propoxy]-5-[[2-(2-thienyl)acetyl]amino]benzoate CAS Name: 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 2-[2-hydroxy-3-(isopropylamino)propoxy]-5-[[2-(2-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=CC=CS2)OCC(CNC(C)C)O

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CC2=CC=CS2)OCC(CNC(C)C)O

InChI

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