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

Systemtic Name: ethyl 4-[7-(4-aminocarbonylpiperidin-1-yl)carbonyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[3-allyl-7-(4-carbamoylpiperidine-1-carbonyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[7-[(4-carbamoyl-1-piperidinyl)-oxomethyl]-4-oxo-3-prop-2-enyl-2-quinazolinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[7-(4-carbamoylpiperidine-1-carbonyl)-4-oxo-3-prop-2-enylquinazolin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[3-allyl-7-(4-carbamoylpiperidine-1-carbonyl)-4-keto-quinazolin-2-yl]thio]-3-keto-butyric acid ethyl ester Formula: C24H28N4O6S MolecularWeight: 500.56732

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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)N1CC=C

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCC(CC3)C(=O)N)C(=O)N1CC=C

InChI

InChI=1S/C24H28N4O6S/c1-3-9-28-23(33)18-6-5-16(22(32)27-10-7-15(8-11-27)21(25)31)12-19(18)26-24(28)35-14-17(29)13-20(30)34-4-2/h3,5-6,12,15H,1,4,7-11,13-14H2,2H3,(H2,25,31)