methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-benzothiophene-2-carboxylic acid methyl ester Formula: C19H16FNO4S2 MolecularWeight: 405.463043

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC=C2S1)F)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC=C2S1)F)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C19H16FNO4S2/c1-25-19(22)17-18(16-14(20)7-4-8-15(16)26-17)27(23,24)21-10-9-12-5-2-3-6-13(12)11-21/h2-8H,9-11H2,1H3