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

Systemtic Name: ethyl 2-[7-(4-aminocarbonylpiperidin-1-yl)carbonyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-allyl-7-(4-carbamoylpiperidine-1-carbonyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[(4-carbamoyl-1-piperidinyl)-oxomethyl]-4-oxo-3-prop-2-enyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(4-carbamoylpiperidine-1-carbonyl)-4-oxo-3-prop-2-enylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-allyl-7-(4-carbamoylpiperidine-1-carbonyl)-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5S/c1-3-9-26-21(30)16-6-5-15(20(29)25-10-7-14(8-11-25)19(23)28)12-17(16)24-22(26)32-13-18(27)31-4-2/h3,5-6,12,14H,1,4,7-11,13H2,2H3,(H2,23,28)