octyl 2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: octyl 2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: octyl 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridinyl]thio]acetic acid octyl ester IUPAC Name: octyl 2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridyl]thio]acetic acid octyl ester Formula: C30H34N2O4S MolecularWeight: 518.66696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CCCCCCCCOC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C30H34N2O4S/c1-4-5-6-7-8-9-18-36-29(33)21-37-30-27(20-31)26(22-10-14-24(34-2)15-11-22)19-28(32-30)23-12-16-25(35-3)17-13-23/h10-17,19H,4-9,18,21H2,1-3H3