[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-keto-2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C21H22FNO4S MolecularWeight: 403.467083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCOC)C)C(=O)COC(=O)C2=CC3=C(C=CC=C3S2)F

Isomeric SMILES

CC1=CC(=C(N1CCCOC)C)C(=O)COC(=O)C2=CC3=C(C=CC=C3S2)F

InChI

InChI=1S/C21H22FNO4S/c1-13-10-15(14(2)23(13)8-5-9-26-3)18(24)12-27-21(25)20-11-16-17(22)6-4-7-19(16)28-20/h4,6-7,10-11H,5,8-9,12H2,1-3H3