2-methylpropyl (4R,5R)-4-[5-(4-ethanoylphenyl)furan-2-yl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-methylpropyl (4R,5R)-4-[5-(4-ethanoylphenyl)furan-2-yl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: isobutyl (4R,5R)-4-[5-(4-acetylphenyl)-2-furyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5R)-4-[5-(4-acetylphenyl)-2-furanyl]-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4R,5R)-4-[5-(4-acetylphenyl)furan-2-yl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5R)-4-[5-(4-acetylphenyl)-2-furyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid isobutyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1C(NC(=S)NC1=C)C2=CC=C(O2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC(C)COC(=O)[C@@H]1[C@@H](NC(=S)NC1=C)C2=CC=C(O2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H24N2O4S/c1-12(2)11-27-21(26)19-13(3)23-22(29)24-20(19)18-10-9-17(28-18)16-7-5-15(6-8-16)14(4)25/h5-10,12,19-20H,3,11H2,1-2,4H3,(H2,23,24,29)/t19-,20-/m0/s1