prop-2-enyl (5S,6R)-4-methylidene-2-sulfanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxylate

Systemtic Name: prop-2-enyl (5S,6R)-4-methylidene-2-sulfanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxylate Openeye Name: allyl (5S,6R)-4-methylene-6-(2-thienyl)-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-methylene-2-sulfanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (5S,6R)-4-methylidene-2-sulfanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxylate Traditional Name: (5S,6R)-4-methylene-6-(2-thienyl)-2-thioxo-hexahydropyrimidine-5-carboxylic acid allyl ester Formula: C13H14N2O2S2 MolecularWeight: 294.39246

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1C(NC(=S)NC1=C)C2=CC=CS2

Isomeric SMILES

C=CCOC(=O)[C@H]1[C@@H](NC(=S)NC1=C)C2=CC=CS2

InChI

InChI=1S/C13H14N2O2S2/c1-3-6-17-12(16)10-8(2)14-13(18)15-11(10)9-5-4-7-19-9/h3-5,7,10-11H,1-2,6H2,(H2,14,15,18)/t10-,11+/m1/s1