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

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H22FNO4S MolecularWeight: 415.477783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=C(C4=C(C=CC=C4S3)F)COC

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=C(C4=C(C=CC=C4S3)F)COC

InChI

InChI=1S/C22H22FNO4S/c1-12-9-15(13(2)24(12)14-7-8-14)18(25)11-28-22(26)21-16(10-27-3)20-17(23)5-4-6-19(20)29-21/h4-6,9,14H,7-8,10-11H2,1-3H3