methyl 5-[[1-(furan-2-ylmethyl)-2-oxidanylidene-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[1-(furan-2-ylmethyl)-2-oxidanylidene-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[1-(2-furylmethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[1-(2-furanylmethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(furan-2-ylmethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[1-(2-furfuryl)-2-keto-5,6,7,8-tetrahydroquinazolin-4-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CC=CO4

InChI

InChI=1S/C20H20N2O5S/c1-25-19(23)17-9-8-14(27-17)12-28-18-15-6-2-3-7-16(15)22(20(24)21-18)11-13-5-4-10-26-13/h4-5,8-10H,2-3,6-7,11-12H2,1H3