ethyl 2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[[(2R)-tetrahydrofuran-2-yl]methyl-(2-thienylmethyl)amino]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[(2R)-2-oxolanyl]methyl-(thiophen-2-ylmethyl)amino]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]benzoate Traditional Name: 2-[[2-[[(2R)-tetrahydrofuran-2-yl]methyl-(2-thenyl)amino]acetyl]amino]benzoic acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CN(CC2CCCO2)CC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CN(C[C@H]2CCCO2)CC3=CC=CS3

InChI

InChI=1S/C21H26N2O4S/c1-2-26-21(25)18-9-3-4-10-19(18)22-20(24)15-23(13-16-7-5-11-27-16)14-17-8-6-12-28-17/h3-4,6,8-10,12,16H,2,5,7,11,13-15H2,1H3,(H,22,24)/t16-/m1/s1