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

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-cyano-6-thiophen-2-yl-pyridin-2-yl)sulfanylmethyl]-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[[3-cyano-6-(2-thienyl)-2-pyridyl]sulfanylmethyl]-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-6-thiophen-2-yl-2-pyridinyl)thio]methyl]-4-[4-(methylthio)phenyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6-thiophen-2-ylpyridin-2-yl)sulfanylmethyl]-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[[3-cyano-6-(2-thienyl)-2-pyridyl]thio]methyl]-4-[4-(methylthio)phenyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C27H22N4O3S3 MolecularWeight: 546.68358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)SC)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CS4)C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)SC)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CS4)C#N

InChI

InChI=1S/C27H22N4O3S3/c1-3-33-27(32)24-21(15-37-26-17(13-28)8-11-20(31-26)22-5-4-12-36-22)34-25(30)19(14-29)23(24)16-6-9-18(35-2)10-7-16/h4-12,23H,3,15,30H2,1-2H3