ethyl (4R)-6-azanyl-5-cyano-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4R)-6-azanyl-5-cyano-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate Openeye Name: ethyl (4R)-6-amino-5-cyano-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate CAS Name: (4R)-6-amino-5-cyano-2-[[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)thio]methyl]-4-phenyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-amino-5-cyano-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate Traditional Name: (4R)-6-amino-5-cyano-2-[[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)thio]methyl]-4-phenyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C26H26N5O3S+ MolecularWeight: 488.58134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2)C#N)N)CSC3=NC4=C(C[NH+](CC4)C)C=C3C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@H]1C2=CC=CC=C2)C#N)N)CSC3=NC4=C(C[NH+](CC4)C)C=C3C#N

InChI

InChI=1S/C26H25N5O3S/c1-3-33-26(32)23-21(34-24(29)19(13-28)22(23)16-7-5-4-6-8-16)15-35-25-17(12-27)11-18-14-31(2)10-9-20(18)30-25/h4-8,11,22H,3,9-10,14-15,29H2,1-2H3/p+1/t22-/m1/s1