2-[(3S)-3-[(2R)-4-oxidanylidenebutan-2-yl]-2,3-dihydrothiochromen-4-ylidene]propanedinitrile

Systemtic Name: 2-[(3S)-3-[(2R)-4-oxidanylidenebutan-2-yl]-2,3-dihydrothiochromen-4-ylidene]propanedinitrile Openeye Name: 2-[(3S)-3-[(1R)-1-methyl-3-oxo-propyl]thiochroman-4-ylidene]propanedinitrile CAS Name: 2-[(3S)-3-[(2R)-4-oxobutan-2-yl]-2,3-dihydro-1-benzothiopyran-4-ylidene]propanedinitrile IUPAC Name: 2-[(3S)-3-[(2R)-4-oxobutan-2-yl]-2,3-dihydrothiochromen-4-ylidene]propanedinitrile Traditional Name: 2-[(3S)-3-[(1R)-3-keto-1-methyl-propyl]thiochroman-4-ylidene]malononitrile Formula: C16H14N2OS MolecularWeight: 282.36016

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=O)C1CSC2=CC=CC=C2C1=C(C#N)C#N

Isomeric SMILES

C[C@H](CC=O)[C@@H]1CSC2=CC=CC=C2C1=C(C#N)C#N

InChI

InChI=1S/C16H14N2OS/c1-11(6-7-19)14-10-20-15-5-3-2-4-13(15)16(14)12(8-17)9-18/h2-5,7,11,14H,6,10H2,1H3/t11-,14+/m1/s1