[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)benzoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate Traditional Name: 3-(2-thenoylamino)benzoic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H24N2O4S/c1-15(20(25)23-11-4-2-3-5-12-23)27-21(26)16-8-6-9-17(14-16)22-19(24)18-10-7-13-28-18/h6-10,13-15H,2-5,11-12H2,1H3,(H,22,24)/t15-/m1/s1