methyl (5S,6R)-4-methylidene-6-[(Z)-2-phenylethenyl]-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (5S,6R)-4-methylidene-6-[(Z)-2-phenylethenyl]-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (5S,6R)-4-methylene-6-[(Z)-styryl]-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-methylene-6-[(Z)-2-phenylethenyl]-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (5S,6R)-4-methylidene-6-[(Z)-2-phenylethenyl]-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (5S,6R)-4-methylene-6-[(Z)-styryl]-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(NC(=S)NC1=C)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O2S/c1-10-13(14(18)19-2)12(17-15(20)16-10)9-8-11-6-4-3-5-7-11/h3-9,12-13H,1H2,2H3,(H2,16,17,20)/b9-8-/t12-,13-/m1/s1