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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C3C(C(=C)NC(=S)N3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)[C@H]3[C@@H](C(=C)NC(=S)N3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H24N2O4S/c1-12-18(20(26)28-22(3,4)5)19(24-21(29)23-12)17-11-10-16(27-17)15-8-6-14(7-9-15)13(2)25/h6-11,18-19H,1H2,2-5H3,(H2,23,24,29)/t18-,19+/m1/s1