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

Systemtic Name: prop-2-enyl (5R,6R)-6-(4-tert-butylphenyl)-1-ethanoyl-4-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: allyl (5R,6R)-1-acetyl-6-(4-tert-butylphenyl)-4-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (5R,6R)-1-acetyl-6-(4-tert-butylphenyl)-4-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (5R,6R)-1-acetyl-6-(4-tert-butylphenyl)-4-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (5R,6R)-1-acetyl-6-(4-tert-butylphenyl)-4-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid allyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C(C(=C)NC1=S)C(=O)OCC=C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(=O)N1[C@H]([C@H](C(=C)NC1=S)C(=O)OCC=C)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H26N2O3S/c1-7-12-26-19(25)17-13(2)22-20(27)23(14(3)24)18(17)15-8-10-16(11-9-15)21(4,5)6/h7-11,17-18H,1-2,12H2,3-6H3,(H,22,27)/t17-,18-/m0/s1