(phenylmethyl) (5R,6S)-4-methylidene-6-(2-phenylethenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: (phenylmethyl) (5R,6S)-4-methylidene-6-(2-phenylethenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: benzyl (5R,6S)-4-methylene-6-styryl-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-6-(2-phenylethenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (5R,6S)-4-methylidene-6-(2-phenylethenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-4-methylene-6-styryl-2-thioxo-hexahydropyrimidine-5-carboxylic acid benzyl ester Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=S)N1)C=CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C=C1[C@@H]([C@@H](NC(=S)N1)C=CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O2S/c1-15-19(20(24)25-14-17-10-6-3-7-11-17)18(23-21(26)22-15)13-12-16-8-4-2-5-9-16/h2-13,18-19H,1,14H2,(H2,22,23,26)/t18-,19-/m0/s1