ethyl 2-[[3-cyano-4,6-bis[(E)-2-phenylethenyl]-1,2-dihydropyridin-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[3-cyano-4,6-bis[(E)-2-phenylethenyl]-1,2-dihydropyridin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[3-cyano-4,6-bis[(E)-styryl]-1,2-dihydropyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4,6-bis[(E)-2-phenylethenyl]-1,2-dihydropyridin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-cyano-4,6-bis[(E)-2-phenylethenyl]-1,2-dihydropyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[3-cyano-4,6-bis[(E)-styryl]-1,2-dihydropyridin-2-yl]thio]acetic acid ethyl ester Formula: C26H24N2O2S MolecularWeight: 428.54596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1C(=C(C=C(N1)C=CC2=CC=CC=C2)C=CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)CSC1C(=C(C=C(N1)/C=C/C2=CC=CC=C2)/C=C/C3=CC=CC=C3)C#N

InChI

InChI=1S/C26H24N2O2S/c1-2-30-25(29)19-31-26-24(18-27)22(15-13-20-9-5-3-6-10-20)17-23(28-26)16-14-21-11-7-4-8-12-21/h3-17,26,28H,2,19H2,1H3/b15-13+,16-14+