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

Systemtic Name: ethyl 5-ethanoyl-2-[2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-[[3-[(4-fluorophenyl)methyl]-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)methyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-[[3-(4-fluorobenzyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H24FN3O5S2 MolecularWeight: 553.624963

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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)N2CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C27H24FN3O5S2/c1-4-36-26(35)22-15(2)23(16(3)32)38-24(22)30-21(33)14-37-27-29-20-8-6-5-7-19(20)25(34)31(27)13-17-9-11-18(28)12-10-17/h5-12H,4,13-14H2,1-3H3,(H,30,33)