methyl (4E,5S,6R)-4-propylidene-2-sulfanylidene-6-thiophen-3-yl-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (4E,5S,6R)-4-propylidene-2-sulfanylidene-6-thiophen-3-yl-1,3-diazinane-5-carboxylate Openeye Name: methyl (4E,5S,6R)-4-propylidene-6-(3-thienyl)-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4E,5S,6R)-4-propylidene-2-sulfanylidene-6-(3-thiophenyl)-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4E,5S,6R)-4-propylidene-2-sulfanylidene-6-thiophen-3-yl-1,3-diazinane-5-carboxylate Traditional Name: (4E,5S,6R)-4-propylidene-6-(3-thienyl)-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C13H16N2O2S2 MolecularWeight: 296.40834

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C1C(C(NC(=S)N1)C2=CSC=C2)C(=O)OC

Isomeric SMILES

CC/C=C/1\[C@H]([C@@H](NC(=S)N1)C2=CSC=C2)C(=O)OC

InChI

InChI=1S/C13H16N2O2S2/c1-3-4-9-10(12(16)17-2)11(15-13(18)14-9)8-5-6-19-7-8/h4-7,10-11H,3H2,1-2H3,(H2,14,15,18)/b9-4+/t10-,11+/m1/s1