ethyl 4-[3-cyclohexyl-7-(furan-2-ylmethylcarbamoyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[3-cyclohexyl-7-(furan-2-ylmethylcarbamoyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[3-cyclohexyl-7-(2-furylmethylcarbamoyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[3-cyclohexyl-7-[(2-furanylmethylamino)-oxomethyl]-4-oxo-2-quinazolinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-cyclohexyl-7-(furan-2-ylmethylcarbamoyl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[3-cyclohexyl-7-(2-furfurylcarbamoyl)-4-keto-quinazolin-2-yl]thio]-3-keto-butyric acid ethyl ester Formula: C26H29N3O6S MolecularWeight: 511.58996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)C(=O)N1C4CCCCC4

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)C(=O)N1C4CCCCC4

InChI

InChI=1S/C26H29N3O6S/c1-2-34-23(31)14-19(30)16-36-26-28-22-13-17(24(32)27-15-20-9-6-12-35-20)10-11-21(22)25(33)29(26)18-7-4-3-5-8-18/h6,9-13,18H,2-5,7-8,14-16H2,1H3,(H,27,32)