methyl 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-(2-furfuryl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=CO6

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=CO6

InChI

InChI=1S/C27H28N2O5S/c1-33-25(32)19-4-5-21-22(10-19)28-26(29(24(21)31)14-20-3-2-6-34-20)35-15-23(30)27-11-16-7-17(12-27)9-18(8-16)13-27/h2-6,10,16-18H,7-9,11-15H2,1H3