propan-2-yl 2-[2-(7-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[2-(7-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(7-fluoro-4-oxo-quinazolin-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(7-fluoro-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(7-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(7-fluoro-4-keto-quinazolin-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C22H22FN3O4S MolecularWeight: 443.491183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=NC4=C(C3=O)C=CC(=C4)F

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=NC4=C(C3=O)C=CC(=C4)F

InChI

InChI=1S/C22H22FN3O4S/c1-12(2)30-22(29)19-15-5-3-4-6-17(15)31-20(19)25-18(27)10-26-11-24-16-9-13(23)7-8-14(16)21(26)28/h7-9,11-12H,3-6,10H2,1-2H3,(H,25,27)