methyl 6-azanyl-5-cyano-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanylmethyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate

Systemtic Name: methyl 6-azanyl-5-cyano-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanylmethyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate Openeye Name: methyl 6-amino-5-cyano-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanylmethyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)thio]methyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-5-cyano-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanylmethyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)thio]methyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylic acid methyl ester Formula: C25H22FN5O3S MolecularWeight: 491.537283

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=C(C(=N2)SCC3=C(C(C(=C(O3)N)C#N)C4=CC=C(C=C4)F)C(=O)OC)C#N

Isomeric SMILES

CN1CCC2=C(C1)C=C(C(=N2)SCC3=C(C(C(=C(O3)N)C#N)C4=CC=C(C=C4)F)C(=O)OC)C#N

InChI

InChI=1S/C25H22FN5O3S/c1-31-8-7-19-16(12-31)9-15(10-27)24(30-19)35-13-20-22(25(32)33-2)21(18(11-28)23(29)34-20)14-3-5-17(26)6-4-14/h3-6,9,21H,7-8,12-13,29H2,1-2H3