methyl 2-[(6-fluoranyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(6-fluoranyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(6-fluoro-1-oxo-isochromane-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(6-fluoro-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(6-fluoro-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(6-fluoro-1-keto-isochroman-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H18FNO5S MolecularWeight: 403.424023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC4=C(C=CC(=C4)F)C(=O)O3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC4=C(C=CC(=C4)F)C(=O)O3

InChI

InChI=1S/C20H18FNO5S/c1-26-20(25)16-13-4-2-3-5-15(13)28-18(16)22-17(23)14-9-10-8-11(21)6-7-12(10)19(24)27-14/h6-8,14H,2-5,9H2,1H3,(H,22,23)