ethyl 2-[2-(6-fluoranyl-2-phenyl-quinazolin-4-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(6-fluoranyl-2-phenyl-quinazolin-4-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(6-fluoro-2-phenyl-quinazolin-4-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(6-fluoro-2-phenyl-4-quinazolinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(6-fluoro-2-phenyl-quinazolin-4-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H24FN3O3S2 MolecularWeight: 521.626163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=NC4=C3C=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=NC4=C3C=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C27H24FN3O3S2/c1-2-34-27(33)23-18-10-6-7-11-21(18)36-26(23)30-22(32)15-35-25-19-14-17(28)12-13-20(19)29-24(31-25)16-8-4-3-5-9-16/h3-5,8-9,12-14H,2,6-7,10-11,15H2,1H3,(H,30,32)