propyl 4-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethanoylamino]benzoate Openeye Name: propyl 4-[[2-[[(2S)-tetrahydrofuran-2-yl]methyl-(2-thienylmethyl)amino]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[(2S)-2-oxolanyl]methyl-(thiophen-2-ylmethyl)amino]ethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[[(2S)-tetrahydrofuran-2-yl]methyl-(2-thenyl)amino]acetyl]amino]benzoic acid propyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(CC2CCCO2)CC3=CC=CS3

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C[C@@H]2CCCO2)CC3=CC=CS3

InChI

InChI=1S/C22H28N2O4S/c1-2-11-28-22(26)17-7-9-18(10-8-17)23-21(25)16-24(14-19-5-3-12-27-19)15-20-6-4-13-29-20/h4,6-10,13,19H,2-3,5,11-12,14-16H2,1H3,(H,23,25)/t19-/m0/s1