[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate

Systemtic Name: [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate Openeye Name: [(1R)-2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenecarboxylic acid [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylic acid [(1R)-2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H21FN2O3S MolecularWeight: 400.466443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C(=O)NCC2=CC=C(C=C2)F)N3C=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)O[C@H](C)C(=O)NCC2=CC=C(C=C2)F)N3C=CC=C3)C

InChI

InChI=1S/C21H21FN2O3S/c1-13-15(3)28-20(24-10-4-5-11-24)18(13)21(26)27-14(2)19(25)23-12-16-6-8-17(22)9-7-16/h4-11,14H,12H2,1-3H3,(H,23,25)/t14-/m1/s1