prop-2-enyl (4S)-3-cyano-6-methyl-4-(1H-pyrrol-3-yl)-2-sulfanylidene-3,4-dihydrothiopyran-5-carboxylate

Systemtic Name: prop-2-enyl (4S)-3-cyano-6-methyl-4-(1H-pyrrol-3-yl)-2-sulfanylidene-3,4-dihydrothiopyran-5-carboxylate Openeye Name: allyl (4S)-3-cyano-6-methyl-4-(1H-pyrrol-3-yl)-2-thioxo-3,4-dihydrothiopyran-5-carboxylate CAS Name: (4S)-3-cyano-6-methyl-4-(1H-pyrrol-3-yl)-2-sulfanylidene-3,4-dihydrothiopyran-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-3-cyano-6-methyl-4-(1H-pyrrol-3-yl)-2-sulfanylidene-3,4-dihydrothiopyran-5-carboxylate Traditional Name: (4S)-3-cyano-6-methyl-4-(1H-pyrrol-3-yl)-2-thioxo-3,4-dihydrothiopyran-5-carboxylic acid allyl ester Formula: C15H14N2O2S2 MolecularWeight: 318.41386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(C(=S)S1)C#N)C2=CNC=C2)C(=O)OCC=C

Isomeric SMILES

CC1=C([C@@H](C(C(=S)S1)C#N)C2=CNC=C2)C(=O)OCC=C

InChI

InChI=1S/C15H14N2O2S2/c1-3-6-19-14(18)12-9(2)21-15(20)11(7-16)13(12)10-4-5-17-8-10/h3-5,8,11,13,17H,1,6H2,2H3/t11?,13-/m1/s1