[1-[1-[4-[bis(fluoranyl)methoxy]phenyl]-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl] thiophene-2-carboxylate

Systemtic Name: [1-[1-[4-[bis(fluoranyl)methoxy]phenyl]-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl] thiophene-2-carboxylate Openeye Name: [2-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-pyrrol-3-yl]-1-methyl-2-oxo-ethyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-3-pyrrolyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-keto-1-methyl-ethyl] ester Formula: C21H19F2NO4S MolecularWeight: 419.441666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)F)C)C(=O)C(C)OC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)F)C)C(=O)C(C)OC(=O)C3=CC=CS3

InChI

InChI=1S/C21H19F2NO4S/c1-12-11-17(19(25)14(3)27-20(26)18-5-4-10-29-18)13(2)24(12)15-6-8-16(9-7-15)28-21(22)23/h4-11,14,21H,1-3H3