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

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-[[2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[1-oxo-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[[2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C29H22FN3O4S2 MolecularWeight: 559.631083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C29H22FN3O4S2/c1-2-37-28(36)25-22(18-12-14-19(30)15-13-18)16-38-26(25)32-24(34)17-39-29-31-23-11-7-6-10-21(23)27(35)33(29)20-8-4-3-5-9-20/h3-16H,2,17H2,1H3,(H,32,34)