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

Systemtic Name: methyl 3-(furan-2-ylmethyl)-4-oxidanylidene-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-furylmethyl)-4-oxo-2-[(1S)-2-oxocyclohexyl]sulfanyl-quinazoline-7-carboxylate CAS Name: 3-(2-furanylmethyl)-4-oxo-2-[[(1S)-2-oxocyclohexyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(furan-2-ylmethyl)-4-oxo-2-[(1S)-2-oxocyclohexyl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-(2-furfuryl)-4-keto-2-[[(1S)-2-ketocyclohexyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC3CCCCC3=O)CC4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)S[C@H]3CCCCC3=O)CC4=CC=CO4

InChI

InChI=1S/C21H20N2O5S/c1-27-20(26)13-8-9-15-16(11-13)22-21(29-18-7-3-2-6-17(18)24)23(19(15)25)12-14-5-4-10-28-14/h4-5,8-11,18H,2-3,6-7,12H2,1H3/t18-/m0/s1