ethyl 4-[7-(4-aminocarbonylpiperidin-1-yl)carbonyl-3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[7-(4-aminocarbonylpiperidin-1-yl)carbonyl-3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[7-(4-carbamoylpiperidine-1-carbonyl)-3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[7-[(4-carbamoyl-1-piperidinyl)-oxomethyl]-3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[7-(4-carbamoylpiperidine-1-carbonyl)-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[7-(4-carbamoylpiperidine-1-carbonyl)-3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]-3-keto-butyric acid ethyl ester Formula: C27H27FN4O6S MolecularWeight: 554.589883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCC(CC3)C(=O)N)C(=O)N1C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCC(CC3)C(=O)N)C(=O)N1C4=CC=C(C=C4)F

InChI

InChI=1S/C27H27FN4O6S/c1-2-38-23(34)14-20(33)15-39-27-30-22-13-17(25(36)31-11-9-16(10-12-31)24(29)35)3-8-21(22)26(37)32(27)19-6-4-18(28)5-7-19/h3-8,13,16H,2,9-12,14-15H2,1H3,(H2,29,35)