[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 4-(thiophene-2-carbonylamino)benzoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(2-thenoylamino)benzoic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)OC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H26N2O4S/c1-15(20(25)23-17-7-4-2-3-5-8-17)28-22(27)16-10-12-18(13-11-16)24-21(26)19-9-6-14-29-19/h6,9-15,17H,2-5,7-8H2,1H3,(H,23,25)(H,24,26)/t15-/m1/s1