ethyl 2-cyano-2-[2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylcyclohexylidene]ethanoate

Systemtic Name: ethyl 2-cyano-2-[2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylcyclohexylidene]ethanoate Openeye Name: ethyl 2-cyano-2-[2-[[3-cyano-4-phenyl-6-(2-thienyl)-2-pyridyl]sulfanyl]cyclohexylidene]acetate CAS Name: 2-cyano-2-[2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)thio]cyclohexylidene]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[2-(3-cyano-4-phenyl-6-thiophen-2-ylpyridin-2-yl)sulfanylcyclohexylidene]acetate Traditional Name: 2-cyano-2-[2-[[3-cyano-4-phenyl-6-(2-thienyl)-2-pyridyl]thio]cyclohexylidene]acetic acid ethyl ester Formula: C27H23N3O2S2 MolecularWeight: 485.62042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1CCCCC1SC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N)C#N

Isomeric SMILES

CCOC(=O)C(=C1CCCCC1SC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N)C#N

InChI

InChI=1S/C27H23N3O2S2/c1-2-32-27(31)22(17-29)19-11-6-7-12-24(19)34-26-21(16-28)20(18-9-4-3-5-10-18)15-23(30-26)25-13-8-14-33-25/h3-5,8-10,13-15,24H,2,6-7,11-12H2,1H3