methyl (3R,4S)-6-azanyl-2-azanylidene-5-cyano-4-(4-fluorophenyl)-3,4-dihydrothiopyran-3-carboxylate

Systemtic Name: methyl (3R,4S)-6-azanyl-2-azanylidene-5-cyano-4-(4-fluorophenyl)-3,4-dihydrothiopyran-3-carboxylate Openeye Name: methyl (3R,4S)-6-amino-5-cyano-4-(4-fluorophenyl)-2-imino-3,4-dihydrothiopyran-3-carboxylate CAS Name: (3R,4S)-6-amino-5-cyano-4-(4-fluorophenyl)-2-imino-3,4-dihydrothiopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-6-amino-5-cyano-4-(4-fluorophenyl)-2-imino-3,4-dihydrothiopyran-3-carboxylate Traditional Name: (3R,4S)-6-amino-5-cyano-4-(4-fluorophenyl)-2-imino-3,4-dihydrothiopyran-3-carboxylic acid methyl ester Formula: C14H12FN3O2S MolecularWeight: 305.327383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=C(SC1=N)N)C#N)C2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)[C@H]1[C@H](C(=C(SC1=N)N)C#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H12FN3O2S/c1-20-14(19)11-10(7-2-4-8(15)5-3-7)9(6-16)12(17)21-13(11)18/h2-5,10-11,18H,17H2,1H3/t10-,11-/m0/s1