ethyl 2-[3-[[4-(furan-2-ylmethylcarbamoyl)cyclohexyl]methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-[[4-(furan-2-ylmethylcarbamoyl)cyclohexyl]methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-[[4-(2-furylmethylcarbamoyl)cyclohexyl]methyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[[4-[(2-furanylmethylamino)-oxomethyl]cyclohexyl]methyl]-4-oxo-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[[4-(furan-2-ylmethylcarbamoyl)cyclohexyl]methyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-[[4-(2-furfurylcarbamoyl)cyclohexyl]methyl]-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCC(CC3)C(=O)NCC4=CC=CO4

Isomeric SMILES

CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCC(CC3)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C25H29N3O5S/c1-2-32-22(29)16-34-25-27-21-8-4-3-7-20(21)24(31)28(25)15-17-9-11-18(12-10-17)23(30)26-14-19-6-5-13-33-19/h3-8,13,17-18H,2,9-12,14-16H2,1H3,(H,26,30)