propan-2-yl 6-azanyl-5-cyano-2-[(3-cyano-4,5,6-trimethyl-pyridin-1-ium-2-yl)sulfanylmethyl]-4-thiophen-2-yl-4H-pyran-3-carboxylate

Systemtic Name: propan-2-yl 6-azanyl-5-cyano-2-[(3-cyano-4,5,6-trimethyl-pyridin-1-ium-2-yl)sulfanylmethyl]-4-thiophen-2-yl-4H-pyran-3-carboxylate Openeye Name: isopropyl 6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethyl-pyridin-1-ium-2-yl)sulfanylmethyl]-4-(2-thienyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-4,5,6-trimethyl-2-pyridin-1-iumyl)thio]methyl]-4-thiophen-2-yl-4H-pyran-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethylpyridin-1-ium-2-yl)sulfanylmethyl]-4-thiophen-2-yl-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-cyano-4,5,6-trimethyl-pyridin-1-ium-2-yl)thio]methyl]-4-(2-thienyl)-4H-pyran-3-carboxylic acid isopropyl ester Formula: C24H25N4O3S2+ MolecularWeight: 481.6103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=C(C(=C1C)C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=CS3)C(=O)OC(C)C)C

Isomeric SMILES

CC1=C([NH+]=C(C(=C1C)C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=CS3)C(=O)OC(C)C)C

InChI

InChI=1S/C24H24N4O3S2/c1-12(2)30-24(29)21-18(11-33-23-16(9-25)14(4)13(3)15(5)28-23)31-22(27)17(10-26)20(21)19-7-6-8-32-19/h6-8,12,20H,11,27H2,1-5H3/p+1