ethyl 5-ethanoyl-2-[2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-2-[2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H22FN3O5S2 MolecularWeight: 539.598383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

InChI

InChI=1S/C26H22FN3O5S2/c1-4-35-25(34)21-14(2)22(15(3)31)37-23(21)29-20(32)13-36-26-28-19-8-6-5-7-18(19)24(33)30(26)17-11-9-16(27)10-12-17/h5-12H,4,13H2,1-3H3,(H,29,32)