ethyl 6-azanyl-5-cyano-2-[(3-cyano-6-pyridin-4-yl-pyridin-2-yl)sulfanylmethyl]-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-cyano-6-pyridin-4-yl-pyridin-2-yl)sulfanylmethyl]-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[[3-cyano-6-(4-pyridyl)-2-pyridyl]sulfanylmethyl]-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-6-pyridin-4-yl-2-pyridinyl)thio]methyl]-4-(4-methoxyphenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylmethyl]-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[[3-cyano-6-(4-pyridyl)-2-pyridyl]thio]methyl]-4-(4-methoxyphenyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C28H23N5O4S MolecularWeight: 525.57832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)OC)C#N)N)CSC3=C(C=CC(=N3)C4=CC=NC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)OC)C#N)N)CSC3=C(C=CC(=N3)C4=CC=NC=C4)C#N

InChI

InChI=1S/C28H23N5O4S/c1-3-36-28(34)25-23(37-26(31)21(15-30)24(25)18-4-7-20(35-2)8-5-18)16-38-27-19(14-29)6-9-22(33-27)17-10-12-32-13-11-17/h4-13,24H,3,16,31H2,1-2H3