(phenylmethyl) (3S,4R)-2-azanylidene-3-cyano-4-(furan-3-yl)-6-methyl-3,4-dihydrothiopyran-5-carboxylate

Systemtic Name: (phenylmethyl) (3S,4R)-2-azanylidene-3-cyano-4-(furan-3-yl)-6-methyl-3,4-dihydrothiopyran-5-carboxylate Openeye Name: benzyl (3S,4R)-3-cyano-4-(3-furyl)-2-imino-6-methyl-3,4-dihydrothiopyran-5-carboxylate CAS Name: (3S,4R)-3-cyano-4-(3-furanyl)-2-imino-6-methyl-3,4-dihydrothiopyran-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S,4R)-3-cyano-4-(furan-3-yl)-2-imino-6-methyl-3,4-dihydrothiopyran-5-carboxylate Traditional Name: (3S,4R)-3-cyano-4-(3-furyl)-2-imino-6-methyl-3,4-dihydrothiopyran-5-carboxylic acid benzyl ester Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(C(=N)S1)C#N)C2=COC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C([C@H]([C@H](C(=N)S1)C#N)C2=COC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H16N2O3S/c1-12-16(19(22)24-10-13-5-3-2-4-6-13)17(14-7-8-23-11-14)15(9-20)18(21)25-12/h2-8,11,15,17,21H,10H2,1H3/t15-,17+/m1/s1