ethyl (4R)-6-azanyl-5-cyano-2-methyl-4-(5-thiocyanatofuran-2-yl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4R)-6-azanyl-5-cyano-2-methyl-4-(5-thiocyanatofuran-2-yl)-4H-pyran-3-carboxylate Openeye Name: ethyl (4R)-6-amino-5-cyano-2-methyl-4-(5-thiocyanato-2-furyl)-4H-pyran-3-carboxylate CAS Name: (4R)-6-amino-5-cyano-2-methyl-4-(5-thiocyanato-2-furanyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-amino-5-cyano-2-methyl-4-(5-thiocyanatofuran-2-yl)-4H-pyran-3-carboxylate Traditional Name: (4R)-6-amino-5-cyano-2-methyl-4-(5-thiocyanato-2-furyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(O2)SC#N)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@H]1C2=CC=C(O2)SC#N)C#N)N)C

InChI

InChI=1S/C15H13N3O4S/c1-3-20-15(19)12-8(2)21-14(18)9(6-16)13(12)10-4-5-11(22-10)23-7-17/h4-5,13H,3,18H2,1-2H3/t13-/m0/s1