[(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid [(1R)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OC(C)C(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)O[C@H](C)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C22H24N2O3S/c1-15-12-20(16(2)24(15)14-18-8-5-4-6-9-18)22(26)27-17(3)21(25)23-13-19-10-7-11-28-19/h4-12,17H,13-14H2,1-3H3,(H,23,25)/t17-/m1/s1