propan-2-yl 4-[2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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