tert-butyl (4R,5R)-4-(4-tert-butylphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: tert-butyl (4R,5R)-4-(4-tert-butylphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: tert-butyl (4R,5R)-4-(4-tert-butylphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5R)-4-(4-tert-butylphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R,5R)-4-(4-tert-butylphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5R)-4-(4-tert-butylphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid tert-butyl ester Formula: C20H28N2O2S MolecularWeight: 360.51352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H]2[C@H](C(=C)NC(=S)N2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N2O2S/c1-12-15(17(23)24-20(5,6)7)16(22-18(25)21-12)13-8-10-14(11-9-13)19(2,3)4/h8-11,15-16H,1H2,2-7H3,(H2,21,22,25)/t15-,16-/m0/s1